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#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1
_chemical_name_common 'O Si Ni '
_cell_length_a 20.30965
_cell_length_b 19.86252
_cell_length_c 13.37115
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_space_group_name_H-M_alt 'P 1'
_space_group_IT_number 1
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
O1 1.0 0.502591 0.072780 0.707525 Biso 1.000000 O
O2 1.0 0.997409 0.572780 0.207525 Biso 1.000000 O
O3 1.0 0.502591 0.427220 0.707525 Biso 1.000000 O
O4 1.0 0.997183 0.926979 0.207093 Biso 1.000000 O
O5 1.0 0.497218 0.927556 0.291101 Biso 1.000000 O
O6 1.0 0.002591 0.427220 0.792475 Biso 1.000000 O
O7 1.0 0.497409 0.572780 0.292475 Biso 1.000000 O
O8 1.0 0.002591 0.072780 0.792475 Biso 1.000000 O
O9 1.0 0.386883 0.069389 0.795840 Biso 1.000000 O
O10 1.0 0.113117 0.569389 0.295840 Biso 1.000000 O
O11 1.0 0.386883 0.430611 0.795840 Biso 1.000000 O
O12 1.0 0.112528 0.930823 0.295905 Biso 1.000000 O
O13 1.0 0.613787 0.930027 0.205099 Biso 1.000000 O
O14 1.0 0.886883 0.430611 0.704160 Biso 1.000000 O
O15 1.0 0.613117 0.569389 0.204160 Biso 1.000000 O
O16 1.0 0.886883 0.069389 0.704160 Biso 1.000000 O
O17 1.0 0.402400 0.139588 0.629957 Biso 1.000000 O
O18 1.0 0.097635 0.639462 0.129688 Biso 1.000000 O
O19 1.0 0.402400 0.360412 0.629957 Biso 1.000000 O
O20 1.0 0.097783 0.860668 0.129439 Biso 1.000000 O
O21 1.0 0.595757 0.860035 0.371048 Biso 1.000000 O
O22 1.0 0.902400 0.360412 0.870043 Biso 1.000000 O
O23 1.0 0.596834 0.640028 0.370485 Biso 1.000000 O
O24 1.0 0.902400 0.139588 0.870043 Biso 1.000000 O
O25 1.0 0.404503 0.005183 0.622751 Biso 1.000000 O
O26 1.0 0.095497 0.505183 0.122751 Biso 1.000000 O
O27 1.0 0.404503 0.494817 0.622751 Biso 1.000000 O
O28 1.0 0.095285 0.994925 0.122740 Biso 1.000000 O
O29 1.0 0.595493 0.994555 0.377496 Biso 1.000000 O
O30 1.0 0.904503 0.494817 0.877249 Biso 1.000000 O
O31 1.0 0.595497 0.505183 0.377249 Biso 1.000000 O
O32 1.0 0.904503 0.005183 0.877249 Biso 1.000000 O
O33 1.0 0.324413 0.039532 0.963993 Biso 1.000000 O
O34 1.0 0.175587 0.539532 0.463993 Biso 1.000000 O
O35 1.0 0.324413 0.460468 0.963993 Biso 1.000000 O
O36 1.0 0.175443 0.960553 0.463586 Biso 1.000000 O
O37 1.0 0.675305 0.960790 0.036060 Biso 1.000000 O
O38 1.0 0.824413 0.460468 0.536007 Biso 1.000000 O
O39 1.0 0.675587 0.539532 0.036007 Biso 1.000000 O
O40 1.0 0.824413 0.039532 0.536007 Biso 1.000000 O
O41 1.0 0.325107 0.953621 0.808801 Biso 1.000000 O
O42 1.0 0.175356 0.453807 0.308827 Biso 1.000000 O
O43 1.0 0.324644 0.546193 0.808827 Biso 1.000000 O
O44 1.0 0.175356 0.046193 0.308827 Biso 1.000000 O
O45 1.0 0.675356 0.046193 0.191173 Biso 1.000000 O
O46 1.0 0.824644 0.546193 0.691173 Biso 1.000000 O
O47 1.0 0.675356 0.453807 0.191173 Biso 1.000000 O
O48 1.0 0.824430 0.953802 0.691201 Biso 1.000000 O
O49 1.0 0.255425 0.066602 0.802208 Biso 1.000000 O
O50 1.0 0.244575 0.566602 0.302208 Biso 1.000000 O
O51 1.0 0.255425 0.433398 0.802208 Biso 1.000000 O
O52 1.0 0.243830 0.932718 0.300895 Biso 1.000000 O
O53 1.0 0.745039 0.933793 0.196878 Biso 1.000000 O
O54 1.0 0.755425 0.433398 0.697792 Biso 1.000000 O
O55 1.0 0.744575 0.566602 0.197792 Biso 1.000000 O
O56 1.0 0.755425 0.066602 0.697792 Biso 1.000000 O
O57 1.0 0.291529 0.127184 0.103820 Biso 1.000000 O
O58 1.0 0.208084 0.627198 0.603371 Biso 1.000000 O
O59 1.0 0.291529 0.372816 0.103820 Biso 1.000000 O
O60 1.0 0.208988 0.873026 0.602888 Biso 1.000000 O
O61 1.0 0.708511 0.872801 0.897532 Biso 1.000000 O
O62 1.0 0.791529 0.372816 0.396180 Biso 1.000000 O
O63 1.0 0.708569 0.627365 0.897173 Biso 1.000000 O
O64 1.0 0.791529 0.127184 0.396180 Biso 1.000000 O
O65 1.0 0.201041 0.042827 0.029077 Biso 1.000000 O
O66 1.0 0.298959 0.542827 0.529077 Biso 1.000000 O
O67 1.0 0.201041 0.457173 0.029077 Biso 1.000000 O
O68 1.0 0.298746 0.958625 0.527632 Biso 1.000000 O
O69 1.0 0.798898 0.957407 0.970932 Biso 1.000000 O
O70 1.0 0.701041 0.457173 0.470923 Biso 1.000000 O
O71 1.0 0.798959 0.542827 0.970923 Biso 1.000000 O
O72 1.0 0.701041 0.042827 0.470923 Biso 1.000000 O
O73 1.0 0.296890 0.997856 0.147028 Biso 1.000000 O
O74 1.0 0.203110 0.497856 0.647027 Biso 1.000000 O
O75 1.0 0.296890 0.502144 0.147028 Biso 1.000000 O
O76 1.0 0.203110 0.002144 0.647027 Biso 1.000000 O
O77 1.0 0.703110 0.002144 0.852973 Biso 1.000000 O
O78 1.0 0.796890 0.502144 0.352973 Biso 1.000000 O
O79 1.0 0.703110 0.497856 0.852973 Biso 1.000000 O
O80 1.0 0.796890 0.997856 0.352973 Biso 1.000000 O
O81 1.0 0.108994 0.126746 0.095867 Biso 1.000000 O
O82 1.0 0.390435 0.626825 0.595471 Biso 1.000000 O
O83 1.0 0.108994 0.373254 0.095867 Biso 1.000000 O
O84 1.0 0.389353 0.873741 0.594410 Biso 1.000000 O
O85 1.0 0.890694 0.873297 0.903022 Biso 1.000000 O
O86 1.0 0.608994 0.373254 0.404133 Biso 1.000000 O
O87 1.0 0.890828 0.626695 0.903568 Biso 1.000000 O
O88 1.0 0.608994 0.126746 0.404133 Biso 1.000000 O
O89 1.0 0.083123 0.046356 0.943295 Biso 1.000000 O
O90 1.0 0.416877 0.546356 0.443295 Biso 1.000000 O
O91 1.0 0.083123 0.453644 0.943295 Biso 1.000000 O
O92 1.0 0.417205 0.954174 0.442928 Biso 1.000000 O
O93 1.0 0.916399 0.953160 0.056844 Biso 1.000000 O
O94 1.0 0.583123 0.453644 0.556705 Biso 1.000000 O
O95 1.0 0.916877 0.546356 0.056705 Biso 1.000000 O
O96 1.0 0.583123 0.046356 0.556705 Biso 1.000000 O
O97 1.0 0.128960 0.079409 0.763059 Biso 1.000000 O
O98 1.0 0.371040 0.579409 0.263059 Biso 1.000000 O
O99 1.0 0.128960 0.420591 0.763059 Biso 1.000000 O
O100 1.0 0.370643 0.920568 0.263394 Biso 1.000000 O
O101 1.0 0.871082 0.920403 0.237840 Biso 1.000000 O
O102 1.0 0.628960 0.420591 0.736941 Biso 1.000000 O
O103 1.0 0.871040 0.579409 0.236941 Biso 1.000000 O
O104 1.0 0.628960 0.079409 0.736941 Biso 1.000000 O
O105 1.0 0.073425 0.960300 0.791077 Biso 1.000000 O
O106 1.0 0.426424 0.460303 0.290879 Biso 1.000000 O
O107 1.0 0.073576 0.539697 0.790879 Biso 1.000000 O
O108 1.0 0.426424 0.039697 0.290879 Biso 1.000000 O
O109 1.0 0.926424 0.039697 0.209121 Biso 1.000000 O
O110 1.0 0.573576 0.539697 0.709121 Biso 1.000000 O
O111 1.0 0.926424 0.460303 0.209121 Biso 1.000000 O
O112 1.0 0.576043 0.961305 0.712198 Biso 1.000000 O
O113 1.0 0.216490 0.136163 0.646516 Biso 1.000000 O
O114 1.0 0.283892 0.635722 0.145382 Biso 1.000000 O
O115 1.0 0.216490 0.363837 0.646516 Biso 1.000000 O
O116 1.0 0.284483 0.864000 0.144770 Biso 1.000000 O
O117 1.0 0.781643 0.864171 0.353193 Biso 1.000000 O
O118 1.0 0.716490 0.363837 0.853484 Biso 1.000000 O
O119 1.0 0.782370 0.635989 0.353408 Biso 1.000000 O
O120 1.0 0.716490 0.136163 0.853484 Biso 1.000000 O
O121 1.0 0.494871 0.860345 0.717800 Biso 1.000000 O
O122 1.0 0.004187 0.353136 0.214009 Biso 1.000000 O
O123 1.0 0.495121 0.642104 0.719449 Biso 1.000000 O
O124 1.0 0.004187 0.146864 0.214009 Biso 1.000000 O
O125 1.0 0.504187 0.146864 0.285991 Biso 1.000000 O
O126 1.0 0.995227 0.646406 0.784762 Biso 1.000000 O
O127 1.0 0.504187 0.353136 0.285991 Biso 1.000000 O
O128 1.0 0.995420 0.853316 0.784705 Biso 1.000000 O
O129 1.0 0.377345 0.831911 0.781540 Biso 1.000000 O
O130 1.0 0.122339 0.333069 0.285807 Biso 1.000000 O
O131 1.0 0.376830 0.668507 0.782257 Biso 1.000000 O
O132 1.0 0.122339 0.166931 0.285807 Biso 1.000000 O
O133 1.0 0.622339 0.166931 0.214193 Biso 1.000000 O
O134 1.0 0.876567 0.666963 0.713464 Biso 1.000000 O
O135 1.0 0.622339 0.333069 0.214193 Biso 1.000000 O
O136 1.0 0.876665 0.833021 0.713060 Biso 1.000000 O
O137 1.0 0.428014 0.750440 0.645546 Biso 1.000000 O
O138 1.0 0.075921 0.250000 0.147243 Biso 1.000000 O
O139 1.0 0.575921 0.250000 0.352757 Biso 1.000000 O
O140 1.0 0.923763 0.749988 0.851100 Biso 1.000000 O
O141 1.0 0.318663 0.862995 0.953088 Biso 1.000000 O
O142 1.0 0.182472 0.364636 0.455308 Biso 1.000000 O
O143 1.0 0.318315 0.636286 0.953467 Biso 1.000000 O
O144 1.0 0.182472 0.135364 0.455308 Biso 1.000000 O
O145 1.0 0.682472 0.135364 0.044692 Biso 1.000000 O
O146 1.0 0.814269 0.634784 0.544647 Biso 1.000000 O
O147 1.0 0.682472 0.364636 0.044692 Biso 1.000000 O
O148 1.0 0.814017 0.865404 0.544598 Biso 1.000000 O
O149 1.0 0.247526 0.847081 0.789527 Biso 1.000000 O
O150 1.0 0.252442 0.347029 0.290604 Biso 1.000000 O
O151 1.0 0.247240 0.652909 0.789760 Biso 1.000000 O
O152 1.0 0.252442 0.152971 0.290604 Biso 1.000000 O
O153 1.0 0.752442 0.152971 0.209396 Biso 1.000000 O
O154 1.0 0.746280 0.652516 0.709820 Biso 1.000000 O
O155 1.0 0.752442 0.347029 0.209396 Biso 1.000000 O
O156 1.0 0.746226 0.847573 0.710124 Biso 1.000000 O
O157 1.0 0.294149 0.749722 0.050003 Biso 1.000000 O
O158 1.0 0.204751 0.250000 0.550248 Biso 1.000000 O
O159 1.0 0.704751 0.250000 0.949752 Biso 1.000000 O
O160 1.0 0.798814 0.750154 0.448621 Biso 1.000000 O
O161 1.0 0.196398 0.834125 0.005120 Biso 1.000000 O
O162 1.0 0.303967 0.332717 0.506256 Biso 1.000000 O
O163 1.0 0.196203 0.665524 0.005044 Biso 1.000000 O
O164 1.0 0.303967 0.167283 0.506256 Biso 1.000000 O
O165 1.0 0.803967 0.167283 0.993744 Biso 1.000000 O
O166 1.0 0.694641 0.674878 0.489683 Biso 1.000000 O
O167 1.0 0.803967 0.332717 0.993744 Biso 1.000000 O
O168 1.0 0.694388 0.825327 0.489500 Biso 1.000000 O
O169 1.0 0.094617 0.749948 0.020538 Biso 1.000000 O
O170 1.0 0.406844 0.250000 0.519959 Biso 1.000000 O
O171 1.0 0.906844 0.250000 0.980041 Biso 1.000000 O
O172 1.0 0.585861 0.750208 0.485132 Biso 1.000000 O
O173 1.0 0.080419 0.868763 0.933467 Biso 1.000000 O
O174 1.0 0.419168 0.369616 0.434205 Biso 1.000000 O
O175 1.0 0.080035 0.631012 0.933826 Biso 1.000000 O
O176 1.0 0.419168 0.130384 0.434205 Biso 1.000000 O
O177 1.0 0.919168 0.130384 0.065795 Biso 1.000000 O
O178 1.0 0.585111 0.626570 0.567459 Biso 1.000000 O
O179 1.0 0.919168 0.369616 0.065795 Biso 1.000000 O
O180 1.0 0.585864 0.874624 0.568177 Biso 1.000000 O
O181 1.0 0.121288 0.840366 0.746324 Biso 1.000000 O
O182 1.0 0.378594 0.339902 0.247506 Biso 1.000000 O
O183 1.0 0.120979 0.660202 0.747152 Biso 1.000000 O
O184 1.0 0.378594 0.160098 0.247506 Biso 1.000000 O
O185 1.0 0.878594 0.160098 0.252495 Biso 1.000000 O
O186 1.0 0.620621 0.660676 0.755273 Biso 1.000000 O
O187 1.0 0.878594 0.339902 0.252495 Biso 1.000000 O
O188 1.0 0.620349 0.839276 0.755880 Biso 1.000000 O
O189 1.0 0.202602 0.750092 0.670390 Biso 1.000000 O
O190 1.0 0.296813 0.250000 0.171318 Biso 1.000000 O
O191 1.0 0.796813 0.250000 0.328682 Biso 1.000000 O
O192 1.0 0.703700 0.750055 0.830019 Biso 1.000000 O
Si1 1.0 0.424010 0.071224 0.687981 Biso 1.000000 Si
Si2 1.0 0.075990 0.571224 0.187981 Biso 1.000000 Si
Si3 1.0 0.424010 0.428776 0.687981 Biso 1.000000 Si
Si4 1.0 0.075774 0.928785 0.187792 Biso 1.000000 Si
Si5 1.0 0.575556 0.928794 0.312022 Biso 1.000000 Si
Si6 1.0 0.924010 0.428776 0.812019 Biso 1.000000 Si
Si7 1.0 0.575990 0.571224 0.312019 Biso 1.000000 Si
Si8 1.0 0.924010 0.071224 0.812019 Biso 1.000000 Si
Si9 1.0 0.322720 0.032351 0.843257 Biso 1.000000 Si
Si10 1.0 0.177280 0.532351 0.343257 Biso 1.000000 Si
Si11 1.0 0.322720 0.467649 0.843257 Biso 1.000000 Si
Si12 1.0 0.177024 0.967573 0.342818 Biso 1.000000 Si
Si13 1.0 0.677358 0.967720 0.156757 Biso 1.000000 Si
Si14 1.0 0.822720 0.467649 0.656743 Biso 1.000000 Si
Si15 1.0 0.677280 0.532351 0.156743 Biso 1.000000 Si
Si16 1.0 0.822720 0.032351 0.656743 Biso 1.000000 Si
Si17 1.0 0.277939 0.051958 0.061131 Biso 1.000000 Si
Si18 1.0 0.222061 0.551958 0.561131 Biso 1.000000 Si
Si19 1.0 0.277939 0.448042 0.061131 Biso 1.000000 Si
Si20 1.0 0.222108 0.948461 0.560587 Biso 1.000000 Si
Si21 1.0 0.721980 0.948314 0.939110 Biso 1.000000 Si
Si22 1.0 0.777939 0.448042 0.438869 Biso 1.000000 Si
Si23 1.0 0.722061 0.551958 0.938869 Biso 1.000000 Si
Si24 1.0 0.777939 0.051958 0.438869 Biso 1.000000 Si
Si25 1.0 0.122510 0.052778 0.047994 Biso 1.000000 Si
Si26 1.0 0.377490 0.552778 0.547994 Biso 1.000000 Si
Si27 1.0 0.122510 0.447222 0.047994 Biso 1.000000 Si
Si28 1.0 0.377127 0.948031 0.546933 Biso 1.000000 Si
Si29 1.0 0.877339 0.947101 0.951755 Biso 1.000000 Si
Si30 1.0 0.622510 0.447222 0.452006 Biso 1.000000 Si
Si31 1.0 0.877490 0.552778 0.952006 Biso 1.000000 Si
Si32 1.0 0.622510 0.052778 0.452006 Biso 1.000000 Si
Si33 1.0 0.072230 0.039095 0.823540 Biso 1.000000 Si
Si34 1.0 0.427770 0.539095 0.323540 Biso 1.000000 Si
Si35 1.0 0.072230 0.460905 0.823540 Biso 1.000000 Si
Si36 1.0 0.427604 0.960906 0.323088 Biso 1.000000 Si
Si37 1.0 0.927520 0.960778 0.176547 Biso 1.000000 Si
Si38 1.0 0.572230 0.460905 0.676460 Biso 1.000000 Si
Si39 1.0 0.927770 0.539095 0.176460 Biso 1.000000 Si
Si40 1.0 0.572230 0.039095 0.676460 Biso 1.000000 Si
Si41 1.0 0.201104 0.070382 0.713528 Biso 1.000000 Si
Si42 1.0 0.298896 0.570382 0.213528 Biso 1.000000 Si
Si43 1.0 0.201104 0.429618 0.713528 Biso 1.000000 Si
Si44 1.0 0.298760 0.929419 0.212970 Biso 1.000000 Si
Si45 1.0 0.798677 0.929692 0.286405 Biso 1.000000 Si
Si46 1.0 0.701104 0.429618 0.786472 Biso 1.000000 Si
Si47 1.0 0.798896 0.570382 0.286472 Biso 1.000000 Si
Si48 1.0 0.701104 0.070382 0.786472 Biso 1.000000 Si
Si49 1.0 0.424348 0.830440 0.682652 Biso 1.000000 Si
Si50 1.0 0.077615 0.327715 0.185185 Biso 1.000000 Si
Si51 1.0 0.424286 0.670752 0.683986 Biso 1.000000 Si
Si52 1.0 0.077615 0.172285 0.185185 Biso 1.000000 Si
Si53 1.0 0.577615 0.172285 0.314815 Biso 1.000000 Si
Si54 1.0 0.921873 0.672114 0.813752 Biso 1.000000 Si
Si55 1.0 0.577615 0.327715 0.314815 Biso 1.000000 Si
Si56 1.0 0.921944 0.827792 0.813422 Biso 1.000000 Si
Si57 1.0 0.317483 0.873860 0.832638 Biso 1.000000 Si
Si58 1.0 0.183068 0.374487 0.334784 Biso 1.000000 Si
Si59 1.0 0.317118 0.625989 0.832898 Biso 1.000000 Si
Si60 1.0 0.183068 0.125513 0.334784 Biso 1.000000 Si
Si61 1.0 0.683068 0.125513 0.165216 Biso 1.000000 Si
Si62 1.0 0.815640 0.625378 0.665241 Biso 1.000000 Si
Si63 1.0 0.683068 0.374487 0.165216 Biso 1.000000 Si
Si64 1.0 0.815570 0.874630 0.665232 Biso 1.000000 Si
Si65 1.0 0.273093 0.827742 0.038310 Biso 1.000000 Si
Si66 1.0 0.227331 0.327730 0.539796 Biso 1.000000 Si
Si67 1.0 0.272841 0.671749 0.038620 Biso 1.000000 Si
Si68 1.0 0.227331 0.172270 0.539796 Biso 1.000000 Si
Si69 1.0 0.727331 0.172270 0.960204 Biso 1.000000 Si
Si70 1.0 0.772140 0.673655 0.458995 Biso 1.000000 Si
Si71 1.0 0.727331 0.327730 0.960204 Biso 1.000000 Si
Si72 1.0 0.771863 0.826580 0.458931 Biso 1.000000 Si
Si73 1.0 0.117570 0.828177 0.022438 Biso 1.000000 Si
Si74 1.0 0.382905 0.327987 0.522827 Biso 1.000000 Si
Si75 1.0 0.117413 0.671672 0.022516 Biso 1.000000 Si
Si76 1.0 0.382905 0.172013 0.522827 Biso 1.000000 Si
Si77 1.0 0.882905 0.172013 0.977173 Biso 1.000000 Si
Si78 1.0 0.615427 0.671804 0.478110 Biso 1.000000 Si
Si79 1.0 0.882905 0.327987 0.977173 Biso 1.000000 Si
Si80 1.0 0.615139 0.828731 0.478553 Biso 1.000000 Si
Si81 1.0 0.068087 0.880437 0.814413 Biso 1.000000 Si
Si82 1.0 0.431642 0.380531 0.315052 Biso 1.000000 Si
Si83 1.0 0.067910 0.619499 0.814671 Biso 1.000000 Si
Si84 1.0 0.431642 0.119469 0.315052 Biso 1.000000 Si
Si85 1.0 0.931642 0.119469 0.184948 Biso 1.000000 Si
Si86 1.0 0.568800 0.619365 0.686664 Biso 1.000000 Si
Si87 1.0 0.931642 0.380531 0.184948 Biso 1.000000 Si
Si88 1.0 0.569365 0.881830 0.687361 Biso 1.000000 Si
Si89 1.0 0.194942 0.828347 0.702402 Biso 1.000000 Si
Si90 1.0 0.304981 0.328147 0.203483 Biso 1.000000 Si
Si91 1.0 0.194566 0.671972 0.702892 Biso 1.000000 Si
Si92 1.0 0.304981 0.171853 0.203483 Biso 1.000000 Si
Si93 1.0 0.804981 0.171853 0.296517 Biso 1.000000 Si
Si94 1.0 0.694609 0.672091 0.797862 Biso 1.000000 Si
Si95 1.0 0.804981 0.328147 0.296517 Biso 1.000000 Si
Si96 1.0 0.694522 0.828092 0.798220 Biso 1.000000 Si
Ni1 1.0 0.502004 0.750506 0.555995 Biso 1.000000 Ni