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#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1
_chemical_name_common 'O Si Ta '
_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 0.997364 0.927206 0.207633 Biso 1.000000 O
O5 1.0 0.497360 0.927170 0.292523 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 0.113048 0.930763 0.296058 Biso 1.000000 O
O13 1.0 0.612986 0.930770 0.203949 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 0.097673 0.639679 0.130291 Biso 1.000000 O
O19 1.0 0.402400 0.360412 0.629957 Biso 1.000000 O
O20 1.0 0.097627 0.860364 0.130464 Biso 1.000000 O
O21 1.0 0.597617 0.860384 0.369657 Biso 1.000000 O
O22 1.0 0.902400 0.360412 0.870043 Biso 1.000000 O
O23 1.0 0.597654 0.639666 0.369746 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 0.095472 0.994779 0.122718 Biso 1.000000 O
O29 1.0 0.595498 0.994771 0.377294 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 0.175621 0.960545 0.463992 Biso 1.000000 O
O37 1.0 0.675627 0.960508 0.036006 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 0.324354 0.953806 0.808668 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 0.824459 0.953825 0.691285 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 0.244633 0.933393 0.302245 Biso 1.000000 O
O53 1.0 0.744519 0.933350 0.197884 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 0.208143 0.627069 0.603998 Biso 1.000000 O
O59 1.0 0.291529 0.372816 0.103820 Biso 1.000000 O
O60 1.0 0.208020 0.872934 0.603990 Biso 1.000000 O
O61 1.0 0.708354 0.872897 0.896169 Biso 1.000000 O
O62 1.0 0.791529 0.372816 0.396180 Biso 1.000000 O
O63 1.0 0.708347 0.627146 0.896167 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 0.298908 0.957281 0.529369 Biso 1.000000 O
O69 1.0 0.798930 0.957317 0.970969 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 0.390967 0.626927 0.595756 Biso 1.000000 O
O83 1.0 0.108994 0.373254 0.095867 Biso 1.000000 O
O84 1.0 0.390947 0.873078 0.595437 Biso 1.000000 O
O85 1.0 0.890798 0.873259 0.904422 Biso 1.000000 O
O86 1.0 0.608994 0.373254 0.404133 Biso 1.000000 O
O87 1.0 0.890868 0.626797 0.904309 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 0.416813 0.953752 0.443228 Biso 1.000000 O
O93 1.0 0.916866 0.953673 0.056795 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 0.371195 0.920674 0.262651 Biso 1.000000 O
O101 1.0 0.871035 0.920580 0.236981 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 0.073655 0.960281 0.791013 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 0.573727 0.960298 0.708975 Biso 1.000000 O
O113 1.0 0.216490 0.136163 0.646516 Biso 1.000000 O
O114 1.0 0.283587 0.636189 0.146594 Biso 1.000000 O
O115 1.0 0.216490 0.363837 0.646516 Biso 1.000000 O
O116 1.0 0.283611 0.863798 0.146627 Biso 1.000000 O
O117 1.0 0.783637 0.863777 0.353465 Biso 1.000000 O
O118 1.0 0.716490 0.363837 0.853484 Biso 1.000000 O
O119 1.0 0.783594 0.636195 0.353446 Biso 1.000000 O
O120 1.0 0.716490 0.136163 0.853484 Biso 1.000000 O
O121 1.0 0.495775 0.853430 0.713740 Biso 1.000000 O
O122 1.0 0.004187 0.353136 0.214009 Biso 1.000000 O
O123 1.0 0.495932 0.646734 0.713713 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 0.995905 0.646935 0.786831 Biso 1.000000 O
O127 1.0 0.504187 0.353136 0.285991 Biso 1.000000 O
O128 1.0 0.995801 0.853208 0.786822 Biso 1.000000 O
O129 1.0 0.377650 0.833293 0.785686 Biso 1.000000 O
O130 1.0 0.122339 0.333069 0.285807 Biso 1.000000 O
O131 1.0 0.377928 0.666754 0.786010 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 0.877928 0.666737 0.714228 Biso 1.000000 O
O135 1.0 0.622339 0.333069 0.214193 Biso 1.000000 O
O136 1.0 0.877790 0.833291 0.714343 Biso 1.000000 O
O137 1.0 0.424352 0.750022 0.647541 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 0.923857 0.750043 0.852979 Biso 1.000000 O
O141 1.0 0.317330 0.864769 0.955221 Biso 1.000000 O
O142 1.0 0.182472 0.364636 0.455308 Biso 1.000000 O
O143 1.0 0.317401 0.635255 0.955284 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 0.817471 0.635269 0.544792 Biso 1.000000 O
O147 1.0 0.682472 0.364636 0.044692 Biso 1.000000 O
O148 1.0 0.817426 0.864717 0.544826 Biso 1.000000 O
O149 1.0 0.247550 0.846587 0.790372 Biso 1.000000 O
O150 1.0 0.252442 0.347029 0.290604 Biso 1.000000 O
O151 1.0 0.247831 0.653447 0.790209 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 0.747771 0.653277 0.709713 Biso 1.000000 O
O155 1.0 0.752442 0.347029 0.209396 Biso 1.000000 O
O156 1.0 0.747593 0.846790 0.709611 Biso 1.000000 O
O157 1.0 0.296027 0.750027 0.050126 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 0.795670 0.749993 0.449946 Biso 1.000000 O
O161 1.0 0.196127 0.832113 0.006947 Biso 1.000000 O
O162 1.0 0.303967 0.332717 0.506256 Biso 1.000000 O
O163 1.0 0.196184 0.667970 0.006817 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 0.696114 0.667628 0.493382 Biso 1.000000 O
O167 1.0 0.803967 0.332717 0.993744 Biso 1.000000 O
O168 1.0 0.696066 0.832387 0.493282 Biso 1.000000 O
O169 1.0 0.092804 0.750026 0.020157 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 0.592938 0.750004 0.479765 Biso 1.000000 O
O173 1.0 0.081209 0.869817 0.934738 Biso 1.000000 O
O174 1.0 0.419168 0.369616 0.434205 Biso 1.000000 O
O175 1.0 0.081282 0.630169 0.934690 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 0.581049 0.630328 0.565455 Biso 1.000000 O
O179 1.0 0.919168 0.369616 0.065795 Biso 1.000000 O
O180 1.0 0.580975 0.869572 0.565511 Biso 1.000000 O
O181 1.0 0.121235 0.839731 0.747972 Biso 1.000000 O
O182 1.0 0.378594 0.339902 0.247506 Biso 1.000000 O
O183 1.0 0.121423 0.660190 0.748059 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 0.621470 0.660103 0.752168 Biso 1.000000 O
O187 1.0 0.878594 0.339902 0.252495 Biso 1.000000 O
O188 1.0 0.621303 0.839857 0.752358 Biso 1.000000 O
O189 1.0 0.202666 0.750011 0.670396 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 0.702842 0.750028 0.829115 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 0.075950 0.928832 0.188208 Biso 1.000000 Si
Si5 1.0 0.575932 0.928824 0.311841 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 0.177329 0.967685 0.343282 Biso 1.000000 Si
Si13 1.0 0.677282 0.967697 0.156728 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 0.221984 0.948043 0.561146 Biso 1.000000 Si
Si21 1.0 0.722066 0.948096 0.938841 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 0.377416 0.947278 0.547819 Biso 1.000000 Si
Si29 1.0 0.877444 0.947288 0.952157 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 0.960883 0.323484 Biso 1.000000 Si
Si37 1.0 0.927757 0.960893 0.176530 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 0.298970 0.929590 0.213545 Biso 1.000000 Si
Si45 1.0 0.798908 0.929596 0.286496 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 0.422414 0.827824 0.685185 Biso 1.000000 Si
Si50 1.0 0.077615 0.327715 0.185185 Biso 1.000000 Si
Si51 1.0 0.422526 0.672257 0.685368 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 0.922383 0.672322 0.815144 Biso 1.000000 Si
Si55 1.0 0.577615 0.327715 0.314815 Biso 1.000000 Si
Si56 1.0 0.922315 0.827783 0.815190 Biso 1.000000 Si
Si57 1.0 0.316726 0.874478 0.834701 Biso 1.000000 Si
Si58 1.0 0.183068 0.374487 0.334784 Biso 1.000000 Si
Si59 1.0 0.316942 0.625541 0.834769 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 0.816993 0.625537 0.665340 Biso 1.000000 Si
Si63 1.0 0.683068 0.374487 0.165216 Biso 1.000000 Si
Si64 1.0 0.816886 0.874476 0.665362 Biso 1.000000 Si
Si65 1.0 0.272895 0.827606 0.040024 Biso 1.000000 Si
Si66 1.0 0.227331 0.327730 0.539796 Biso 1.000000 Si
Si67 1.0 0.272940 0.672441 0.040017 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 0.772854 0.672306 0.460158 Biso 1.000000 Si
Si71 1.0 0.727331 0.327730 0.960204 Biso 1.000000 Si
Si72 1.0 0.772824 0.827674 0.460167 Biso 1.000000 Si
Si73 1.0 0.117154 0.827870 0.023434 Biso 1.000000 Si
Si74 1.0 0.382905 0.327987 0.522827 Biso 1.000000 Si
Si75 1.0 0.117215 0.672208 0.023302 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 0.617164 0.672142 0.476775 Biso 1.000000 Si
Si79 1.0 0.882905 0.327987 0.977173 Biso 1.000000 Si
Si80 1.0 0.617103 0.827894 0.476701 Biso 1.000000 Si
Si81 1.0 0.068378 0.880587 0.815646 Biso 1.000000 Si
Si82 1.0 0.431642 0.380531 0.315052 Biso 1.000000 Si
Si83 1.0 0.068443 0.619409 0.815598 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 0.568500 0.619410 0.684579 Biso 1.000000 Si
Si87 1.0 0.931642 0.380531 0.184948 Biso 1.000000 Si
Si88 1.0 0.568417 0.880577 0.684623 Biso 1.000000 Si
Si89 1.0 0.194707 0.828091 0.703473 Biso 1.000000 Si
Si90 1.0 0.304981 0.328147 0.203483 Biso 1.000000 Si
Si91 1.0 0.194857 0.671917 0.703469 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 0.694959 0.671927 0.796608 Biso 1.000000 Si
Si95 1.0 0.804981 0.328147 0.296517 Biso 1.000000 Si
Si96 1.0 0.694857 0.828130 0.796627 Biso 1.000000 Si
Ta1 1.0 0.309781 0.750022 0.423835 Biso 1.000000 Ta