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#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1
_chemical_name_common 'O Si V '
_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 0.997354 0.927188 0.207664 Biso 1.000000 O
O5 1.0 0.497394 0.927317 0.292248 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 0.113000 0.930756 0.296015 Biso 1.000000 O
O13 1.0 0.612819 0.930891 0.203722 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 0.097727 0.639682 0.130301 Biso 1.000000 O
O19 1.0 0.402400 0.360412 0.629957 Biso 1.000000 O
O20 1.0 0.097621 0.860349 0.130404 Biso 1.000000 O
O21 1.0 0.598119 0.860411 0.369194 Biso 1.000000 O
O22 1.0 0.902400 0.360412 0.870043 Biso 1.000000 O
O23 1.0 0.598142 0.639649 0.369428 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 0.095467 0.994761 0.122684 Biso 1.000000 O
O29 1.0 0.595487 0.994765 0.377325 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 0.175400 0.960553 0.463980 Biso 1.000000 O
O37 1.0 0.675752 0.960511 0.036033 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 0.324900 0.953666 0.808747 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 0.824579 0.953852 0.691341 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 0.244547 0.933398 0.302208 Biso 1.000000 O
O53 1.0 0.744356 0.933217 0.198147 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 0.208411 0.627144 0.603751 Biso 1.000000 O
O59 1.0 0.291529 0.372816 0.103820 Biso 1.000000 O
O60 1.0 0.208621 0.872975 0.603647 Biso 1.000000 O
O61 1.0 0.708953 0.872943 0.896205 Biso 1.000000 O
O62 1.0 0.791529 0.372816 0.396180 Biso 1.000000 O
O63 1.0 0.708594 0.627212 0.896259 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 0.298752 0.957715 0.528574 Biso 1.000000 O
O69 1.0 0.799090 0.957511 0.971160 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 0.390603 0.626446 0.597379 Biso 1.000000 O
O83 1.0 0.108994 0.373254 0.095867 Biso 1.000000 O
O84 1.0 0.389955 0.873900 0.597394 Biso 1.000000 O
O85 1.0 0.890916 0.873270 0.904325 Biso 1.000000 O
O86 1.0 0.608994 0.373254 0.404133 Biso 1.000000 O
O87 1.0 0.891060 0.626738 0.904198 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 0.416856 0.953882 0.443440 Biso 1.000000 O
O93 1.0 0.917091 0.953656 0.056666 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 0.371064 0.920615 0.262953 Biso 1.000000 O
O101 1.0 0.870947 0.920657 0.236622 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 0.073586 0.960283 0.791037 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 0.572934 0.960229 0.709137 Biso 1.000000 O
O113 1.0 0.216490 0.136163 0.646516 Biso 1.000000 O
O114 1.0 0.283559 0.636155 0.146497 Biso 1.000000 O
O115 1.0 0.216490 0.363837 0.646516 Biso 1.000000 O
O116 1.0 0.283658 0.863784 0.146605 Biso 1.000000 O
O117 1.0 0.784117 0.863676 0.353461 Biso 1.000000 O
O118 1.0 0.716490 0.363837 0.853484 Biso 1.000000 O
O119 1.0 0.783761 0.636244 0.353422 Biso 1.000000 O
O120 1.0 0.716490 0.136163 0.853484 Biso 1.000000 O
O121 1.0 0.496434 0.851771 0.713176 Biso 1.000000 O
O122 1.0 0.004187 0.353136 0.214009 Biso 1.000000 O
O123 1.0 0.496715 0.648231 0.713608 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 0.996229 0.647176 0.786737 Biso 1.000000 O
O127 1.0 0.504187 0.353136 0.285991 Biso 1.000000 O
O128 1.0 0.996078 0.852928 0.786795 Biso 1.000000 O
O129 1.0 0.378378 0.832529 0.786649 Biso 1.000000 O
O130 1.0 0.122339 0.333069 0.285807 Biso 1.000000 O
O131 1.0 0.378614 0.667263 0.786774 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 0.878321 0.666624 0.714062 Biso 1.000000 O
O135 1.0 0.622339 0.333069 0.214193 Biso 1.000000 O
O136 1.0 0.878086 0.833333 0.714276 Biso 1.000000 O
O137 1.0 0.422605 0.750069 0.643400 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 0.923884 0.750000 0.853049 Biso 1.000000 O
O141 1.0 0.317467 0.864682 0.955249 Biso 1.000000 O
O142 1.0 0.182472 0.364636 0.455308 Biso 1.000000 O
O143 1.0 0.317509 0.635259 0.955204 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 0.817789 0.635277 0.544726 Biso 1.000000 O
O147 1.0 0.682472 0.364636 0.044692 Biso 1.000000 O
O148 1.0 0.817824 0.864696 0.544779 Biso 1.000000 O
O149 1.0 0.248295 0.846335 0.789757 Biso 1.000000 O
O150 1.0 0.252442 0.347029 0.290604 Biso 1.000000 O
O151 1.0 0.248538 0.653856 0.789584 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 0.748223 0.653489 0.709800 Biso 1.000000 O
O155 1.0 0.752442 0.347029 0.209396 Biso 1.000000 O
O156 1.0 0.747951 0.846703 0.709459 Biso 1.000000 O
O157 1.0 0.295949 0.749958 0.050028 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 0.795501 0.749970 0.450174 Biso 1.000000 O
O161 1.0 0.196185 0.832167 0.006831 Biso 1.000000 O
O162 1.0 0.303967 0.332717 0.506256 Biso 1.000000 O
O163 1.0 0.196200 0.667813 0.006517 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 0.696267 0.667051 0.493642 Biso 1.000000 O
O167 1.0 0.803967 0.332717 0.993744 Biso 1.000000 O
O168 1.0 0.696301 0.833037 0.493265 Biso 1.000000 O
O169 1.0 0.092914 0.749987 0.020114 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 0.593922 0.750060 0.480693 Biso 1.000000 O
O173 1.0 0.081304 0.869771 0.934665 Biso 1.000000 O
O174 1.0 0.419168 0.369616 0.434205 Biso 1.000000 O
O175 1.0 0.081262 0.630074 0.934768 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 0.581388 0.629900 0.565305 Biso 1.000000 O
O179 1.0 0.919168 0.369616 0.065795 Biso 1.000000 O
O180 1.0 0.581533 0.870179 0.565321 Biso 1.000000 O
O181 1.0 0.121805 0.840134 0.747930 Biso 1.000000 O
O182 1.0 0.378594 0.339902 0.247506 Biso 1.000000 O
O183 1.0 0.121967 0.659994 0.748360 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 0.621978 0.660008 0.752138 Biso 1.000000 O
O187 1.0 0.878594 0.339902 0.252495 Biso 1.000000 O
O188 1.0 0.621787 0.840192 0.752457 Biso 1.000000 O
O189 1.0 0.202764 0.750078 0.670221 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 0.703164 0.750125 0.829221 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 0.075931 0.928821 0.188167 Biso 1.000000 Si
Si5 1.0 0.575924 0.928839 0.311783 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 0.177275 0.967691 0.343234 Biso 1.000000 Si
Si13 1.0 0.677233 0.967674 0.156798 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 0.221961 0.948212 0.560969 Biso 1.000000 Si
Si21 1.0 0.722264 0.948204 0.938974 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 0.377130 0.947673 0.547659 Biso 1.000000 Si
Si29 1.0 0.877544 0.947277 0.952128 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 0.427769 0.960770 0.323557 Biso 1.000000 Si
Si37 1.0 0.927778 0.960904 0.176441 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 0.298935 0.929583 0.213613 Biso 1.000000 Si
Si45 1.0 0.798921 0.929580 0.286502 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 0.422434 0.828337 0.685527 Biso 1.000000 Si
Si50 1.0 0.077615 0.327715 0.185185 Biso 1.000000 Si
Si51 1.0 0.422808 0.671902 0.685830 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 0.922604 0.672290 0.815092 Biso 1.000000 Si
Si55 1.0 0.577615 0.327715 0.314815 Biso 1.000000 Si
Si56 1.0 0.922485 0.827725 0.815205 Biso 1.000000 Si
Si57 1.0 0.317154 0.874335 0.834773 Biso 1.000000 Si
Si58 1.0 0.183068 0.374487 0.334784 Biso 1.000000 Si
Si59 1.0 0.317242 0.625598 0.834732 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 0.817313 0.625527 0.665248 Biso 1.000000 Si
Si63 1.0 0.683068 0.374487 0.165216 Biso 1.000000 Si
Si64 1.0 0.817201 0.874525 0.665276 Biso 1.000000 Si
Si65 1.0 0.272925 0.827580 0.040043 Biso 1.000000 Si
Si66 1.0 0.227331 0.327730 0.539796 Biso 1.000000 Si
Si67 1.0 0.272911 0.672338 0.039926 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 0.772914 0.672216 0.460242 Biso 1.000000 Si
Si71 1.0 0.727331 0.327730 0.960204 Biso 1.000000 Si
Si72 1.0 0.773005 0.827753 0.460222 Biso 1.000000 Si
Si73 1.0 0.117192 0.827855 0.023389 Biso 1.000000 Si
Si74 1.0 0.382905 0.327987 0.522827 Biso 1.000000 Si
Si75 1.0 0.117230 0.672142 0.023261 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 0.617309 0.671937 0.476641 Biso 1.000000 Si
Si79 1.0 0.882905 0.327987 0.977173 Biso 1.000000 Si
Si80 1.0 0.617332 0.828191 0.476497 Biso 1.000000 Si
Si81 1.0 0.068588 0.880551 0.815561 Biso 1.000000 Si
Si82 1.0 0.431642 0.380531 0.315052 Biso 1.000000 Si
Si83 1.0 0.068668 0.619424 0.815606 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 0.569055 0.619469 0.684388 Biso 1.000000 Si
Si87 1.0 0.931642 0.380531 0.184948 Biso 1.000000 Si
Si88 1.0 0.568824 0.880497 0.684363 Biso 1.000000 Si
Si89 1.0 0.195146 0.828131 0.703040 Biso 1.000000 Si
Si90 1.0 0.304981 0.328147 0.203483 Biso 1.000000 Si
Si91 1.0 0.195204 0.672054 0.703128 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 0.695452 0.672024 0.796697 Biso 1.000000 Si
Si95 1.0 0.804981 0.328147 0.296517 Biso 1.000000 Si
Si96 1.0 0.695382 0.828232 0.796669 Biso 1.000000 Si
V1 1.0 0.428867 0.750904 0.452584 Biso 1.000000 V