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#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1
_chemical_name_common 'O Si Cu '
_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 0.997351 0.927193 0.207575 Biso 1.000000 O
O5 1.0 0.497376 0.927273 0.292253 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 0.113006 0.930772 0.296042 Biso 1.000000 O
O13 1.0 0.612974 0.930831 0.203808 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 0.097662 0.639661 0.130230 Biso 1.000000 O
O19 1.0 0.402400 0.360412 0.629957 Biso 1.000000 O
O20 1.0 0.097605 0.860361 0.130389 Biso 1.000000 O
O21 1.0 0.597736 0.860285 0.369186 Biso 1.000000 O
O22 1.0 0.902400 0.360412 0.870043 Biso 1.000000 O
O23 1.0 0.597701 0.639741 0.369589 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 0.095473 0.994777 0.122709 Biso 1.000000 O
O29 1.0 0.595527 0.994694 0.377356 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 0.175559 0.960459 0.464047 Biso 1.000000 O
O37 1.0 0.675652 0.960477 0.035938 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 0.324408 0.953824 0.808700 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 0.824431 0.953819 0.691279 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 0.244559 0.933415 0.302242 Biso 1.000000 O
O53 1.0 0.744524 0.933373 0.197838 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 0.208396 0.627148 0.603808 Biso 1.000000 O
O59 1.0 0.291529 0.372816 0.103820 Biso 1.000000 O
O60 1.0 0.208678 0.872872 0.603881 Biso 1.000000 O
O61 1.0 0.708242 0.872867 0.895972 Biso 1.000000 O
O62 1.0 0.791529 0.372816 0.396180 Biso 1.000000 O
O63 1.0 0.708306 0.627124 0.896106 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 0.298918 0.957473 0.528841 Biso 1.000000 O
O69 1.0 0.798925 0.957161 0.970868 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 0.390792 0.626808 0.595839 Biso 1.000000 O
O83 1.0 0.108994 0.373254 0.095867 Biso 1.000000 O
O84 1.0 0.390510 0.873353 0.596029 Biso 1.000000 O
O85 1.0 0.890912 0.873263 0.904310 Biso 1.000000 O
O86 1.0 0.608994 0.373254 0.404133 Biso 1.000000 O
O87 1.0 0.890873 0.626783 0.904287 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 0.416942 0.953717 0.443320 Biso 1.000000 O
O93 1.0 0.916841 0.953659 0.056770 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 0.371039 0.920597 0.263049 Biso 1.000000 O
O101 1.0 0.871032 0.920589 0.236957 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 0.073570 0.960280 0.791038 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 0.573548 0.960285 0.708984 Biso 1.000000 O
O113 1.0 0.216490 0.136163 0.646516 Biso 1.000000 O
O114 1.0 0.283625 0.636230 0.146648 Biso 1.000000 O
O115 1.0 0.216490 0.363837 0.646516 Biso 1.000000 O
O116 1.0 0.283632 0.863735 0.146796 Biso 1.000000 O
O117 1.0 0.783701 0.863759 0.353370 Biso 1.000000 O
O118 1.0 0.716490 0.363837 0.853484 Biso 1.000000 O
O119 1.0 0.783621 0.636218 0.353402 Biso 1.000000 O
O120 1.0 0.716490 0.136163 0.853484 Biso 1.000000 O
O121 1.0 0.495906 0.853045 0.713011 Biso 1.000000 O
O122 1.0 0.004187 0.353136 0.214009 Biso 1.000000 O
O123 1.0 0.495913 0.647074 0.713173 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 0.995924 0.646964 0.786813 Biso 1.000000 O
O127 1.0 0.504187 0.353136 0.285991 Biso 1.000000 O
O128 1.0 0.995991 0.852967 0.786830 Biso 1.000000 O
O129 1.0 0.378014 0.833407 0.786229 Biso 1.000000 O
O130 1.0 0.122339 0.333069 0.285807 Biso 1.000000 O
O131 1.0 0.377951 0.666728 0.785990 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 0.877937 0.666710 0.714178 Biso 1.000000 O
O135 1.0 0.622339 0.333069 0.214193 Biso 1.000000 O
O136 1.0 0.877999 0.833375 0.714154 Biso 1.000000 O
O137 1.0 0.423474 0.750104 0.647283 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 0.923780 0.750013 0.852955 Biso 1.000000 O
O141 1.0 0.317388 0.864877 0.955427 Biso 1.000000 O
O142 1.0 0.182472 0.364636 0.455308 Biso 1.000000 O
O143 1.0 0.317428 0.635254 0.955282 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 0.817458 0.635270 0.544759 Biso 1.000000 O
O147 1.0 0.682472 0.364636 0.044692 Biso 1.000000 O
O148 1.0 0.817455 0.864737 0.544755 Biso 1.000000 O
O149 1.0 0.247810 0.846537 0.790453 Biso 1.000000 O
O150 1.0 0.252442 0.347029 0.290604 Biso 1.000000 O
O151 1.0 0.247762 0.653281 0.790290 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 0.747761 0.653270 0.709676 Biso 1.000000 O
O155 1.0 0.752442 0.347029 0.209396 Biso 1.000000 O
O156 1.0 0.747799 0.846591 0.709627 Biso 1.000000 O
O157 1.0 0.296095 0.750022 0.050153 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 0.795663 0.750002 0.449941 Biso 1.000000 O
O161 1.0 0.196185 0.832039 0.007089 Biso 1.000000 O
O162 1.0 0.303967 0.332717 0.506256 Biso 1.000000 O
O163 1.0 0.196220 0.667998 0.006898 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 0.696108 0.667618 0.493287 Biso 1.000000 O
O167 1.0 0.803967 0.332717 0.993744 Biso 1.000000 O
O168 1.0 0.696090 0.832489 0.493124 Biso 1.000000 O
O169 1.0 0.092796 0.750006 0.020165 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 0.593157 0.750076 0.480096 Biso 1.000000 O
O173 1.0 0.081397 0.869757 0.934576 Biso 1.000000 O
O174 1.0 0.419168 0.369616 0.434205 Biso 1.000000 O
O175 1.0 0.081396 0.630231 0.934508 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 0.581104 0.630175 0.565285 Biso 1.000000 O
O179 1.0 0.919168 0.369616 0.065795 Biso 1.000000 O
O180 1.0 0.581111 0.870006 0.565033 Biso 1.000000 O
O181 1.0 0.121532 0.840023 0.747627 Biso 1.000000 O
O182 1.0 0.378594 0.339902 0.247506 Biso 1.000000 O
O183 1.0 0.121428 0.660073 0.747652 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 0.621423 0.660063 0.752015 Biso 1.000000 O
O187 1.0 0.878594 0.339902 0.252495 Biso 1.000000 O
O188 1.0 0.621435 0.839873 0.751726 Biso 1.000000 O
O189 1.0 0.202900 0.749990 0.670833 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 0.702719 0.749983 0.829050 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 0.075936 0.928823 0.188160 Biso 1.000000 Si
Si5 1.0 0.575927 0.928840 0.311694 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 0.177285 0.967700 0.343317 Biso 1.000000 Si
Si13 1.0 0.677295 0.967715 0.156643 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 0.222088 0.948109 0.561130 Biso 1.000000 Si
Si21 1.0 0.722051 0.948016 0.938752 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 0.377380 0.947347 0.547803 Biso 1.000000 Si
Si29 1.0 0.877453 0.947257 0.952104 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 0.427751 0.960831 0.323531 Biso 1.000000 Si
Si37 1.0 0.927747 0.960888 0.176502 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 0.298916 0.929602 0.213598 Biso 1.000000 Si
Si45 1.0 0.798903 0.929615 0.286450 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 0.422255 0.827969 0.685180 Biso 1.000000 Si
Si50 1.0 0.077615 0.327715 0.185185 Biso 1.000000 Si
Si51 1.0 0.422320 0.672225 0.685055 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 0.922377 0.672294 0.815113 Biso 1.000000 Si
Si55 1.0 0.577615 0.327715 0.314815 Biso 1.000000 Si
Si56 1.0 0.922404 0.827738 0.815121 Biso 1.000000 Si
Si57 1.0 0.316899 0.874518 0.834894 Biso 1.000000 Si
Si58 1.0 0.183068 0.374487 0.334784 Biso 1.000000 Si
Si59 1.0 0.316944 0.625534 0.834758 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 0.816985 0.625533 0.665308 Biso 1.000000 Si
Si63 1.0 0.683068 0.374487 0.165216 Biso 1.000000 Si
Si64 1.0 0.816981 0.874465 0.665307 Biso 1.000000 Si
Si65 1.0 0.272972 0.827611 0.040124 Biso 1.000000 Si
Si66 1.0 0.227331 0.327730 0.539796 Biso 1.000000 Si
Si67 1.0 0.272989 0.672433 0.040025 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 0.772856 0.672314 0.460111 Biso 1.000000 Si
Si71 1.0 0.727331 0.327730 0.960204 Biso 1.000000 Si
Si72 1.0 0.772858 0.827694 0.460085 Biso 1.000000 Si
Si73 1.0 0.117191 0.827832 0.023387 Biso 1.000000 Si
Si74 1.0 0.382905 0.327987 0.522827 Biso 1.000000 Si
Si75 1.0 0.117241 0.672196 0.023249 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 0.617157 0.672080 0.476704 Biso 1.000000 Si
Si79 1.0 0.882905 0.327987 0.977173 Biso 1.000000 Si
Si80 1.0 0.617138 0.828096 0.476441 Biso 1.000000 Si
Si81 1.0 0.068543 0.880534 0.815492 Biso 1.000000 Si
Si82 1.0 0.431642 0.380531 0.315052 Biso 1.000000 Si
Si83 1.0 0.068491 0.619433 0.815432 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 0.568429 0.619403 0.684421 Biso 1.000000 Si
Si87 1.0 0.931642 0.380531 0.184948 Biso 1.000000 Si
Si88 1.0 0.568447 0.880614 0.684202 Biso 1.000000 Si
Si89 1.0 0.195055 0.828083 0.703368 Biso 1.000000 Si
Si90 1.0 0.304981 0.328147 0.203483 Biso 1.000000 Si
Si91 1.0 0.194948 0.671900 0.703356 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 0.694896 0.671873 0.796523 Biso 1.000000 Si
Si95 1.0 0.804981 0.328147 0.296517 Biso 1.000000 Si
Si96 1.0 0.694873 0.828068 0.796414 Biso 1.000000 Si
Cu1 1.0 0.440815 0.754844 0.418030 Biso 1.000000 Cu