
#======================================================================
# CRYSTAL DATA
#----------------------------------------------------------------------
data_VESTA_phase_1

_chemical_name_common                  'POSCAR                                '
_cell_length_a                         8.411635
_cell_length_b                         8.411635
_cell_length_c                         33.646542
_cell_angle_alpha                      90.000000
_cell_angle_beta                       90.000000
_cell_angle_gamma                      90.000000
_cell_volume                           2380.681578
_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     0.244205     0.257278     0.311789    Biso  1.000000 O
   O2          1.0     0.235339     0.246785     0.560153    Biso  1.000000 O
   O3          1.0     0.753202     0.764654     0.189852    Biso  1.000000 O
   O4          1.0     0.742682     0.755810     0.438240    Biso  1.000000 O
   O5          1.0     0.492632     0.992945     0.188861    Biso  1.000000 O
   O6          1.0     0.489653     0.991812     0.439428    Biso  1.000000 O
   O7          1.0     0.506739     0.994764     0.310232    Biso  1.000000 O
   O8          1.0     0.505881     0.985659     0.560260    Biso  1.000000 O
   O9          1.0     0.992375     0.762492     0.126342    Biso  1.000000 O
   O10         1.0     0.002218     0.753188     0.372727    Biso  1.000000 O
   O11         1.0     0.983229     0.767230     0.621451    Biso  1.000000 O
   O12         1.0     0.014584     0.233970     0.128613    Biso  1.000000 O
   O13         1.0     0.001476     0.249466     0.377386    Biso  1.000000 O
   O14         1.0     0.006396     0.233141     0.624126    Biso  1.000000 O
   O15         1.0     0.761911     0.487784     0.254086    Biso  1.000000 O
   O16         1.0     0.762909     0.491805     0.497806    Biso  1.000000 O
   O17         1.0     0.234633     0.496842     0.253529    Biso  1.000000 O
   O18         1.0     0.240000     0.496286     0.500971    Biso  1.000000 O
   O19         1.0     0.008190     0.510350     0.310596    Biso  1.000000 O
   O20         1.0     0.006999     0.507368     0.561153    Biso  1.000000 O
   O21         1.0     0.014326     0.494110     0.189758    Biso  1.000000 O
   O22         1.0     0.005186     0.493280     0.439793    Biso  1.000000 O
   O23         1.0     0.508169     0.237046     0.252210    Biso  1.000000 O
   O24         1.0     0.512155     0.238083     0.495931    Biso  1.000000 O
   O25         1.0     0.503739     0.759985     0.249047    Biso  1.000000 O
   O26         1.0     0.503109     0.765361     0.496499    Biso  1.000000 O
   O27         1.0     0.232736     0.016771     0.128572    Biso  1.000000 O
   O28         1.0     0.246942    -0.002234     0.377314    Biso  1.000000 O
   O29         1.0     0.237502     0.007619     0.623669    Biso  1.000000 O
   O30         1.0     0.766845     0.993599     0.125867    Biso  1.000000 O
   O31         1.0     0.750373     0.998462     0.372644    Biso  1.000000 O
   O32         1.0     0.766025     0.985354     0.621408    Biso  1.000000 O
   O33         1.0     0.260817     0.758068     0.187307    Biso  1.000000 O
   O34         1.0     0.256997     0.759958     0.439406    Biso  1.000000 O
   O35         1.0     0.753672     0.240099     0.310485    Biso  1.000000 O
   O36         1.0     0.763632     0.242947     0.560093    Biso  1.000000 O
   O37         1.0     0.488578     0.502192     0.311713    Biso  1.000000 O
   O38         1.0     0.505212     0.514565     0.559588    Biso  1.000000 O
   O39         1.0     0.485404     0.494808     0.190421    Biso  1.000000 O
   O40         1.0     0.497790     0.511443     0.438300    Biso  1.000000 O
   O41         1.0     0.987650     0.259680     0.246843    Biso  1.000000 O
   O42         1.0     0.986345     0.260091     0.496758    Biso  1.000000 O
   O43         1.0     0.001202     0.742068     0.252813    Biso  1.000000 O
   O44         1.0     0.997838     0.740426     0.502651    Biso  1.000000 O
   O45         1.0     0.011491     0.007775     0.188788    Biso  1.000000 O
   O46         1.0     0.008174     0.008070     0.439077    Biso  1.000000 O
   O47         1.0     0.991922     0.991808     0.310979    Biso  1.000000 O
   O48         1.0     0.992187     0.988499     0.561228    Biso  1.000000 O
   O49         1.0     0.583176     0.665923     0.123415    Biso  1.000000 O
   O50         1.0     0.499068     0.748492     0.377776    Biso  1.000000 O
   O51         1.0     0.517813     0.743375     0.624590    Biso  1.000000 O
   O52         1.0     0.487372     0.256573     0.126601    Biso  1.000000 O
   O53         1.0     0.495334     0.250640     0.374193    Biso  1.000000 O
   O54         1.0     0.757051     0.236308     0.189927    Biso  1.000000 O
   O55         1.0     0.759871     0.246290     0.439545    Biso  1.000000 O
   O56         1.0     0.240046     0.743001     0.310612    Biso  1.000000 O
   O57         1.0     0.241939     0.739099     0.562718    Biso  1.000000 O
   O58         1.0     0.256577     0.482174     0.125431    Biso  1.000000 O
   O59         1.0     0.251304     0.500916     0.372232    Biso  1.000000 O
   O60         1.0     0.334132     0.416826     0.626589    Biso  1.000000 O
   O61         1.0     0.749509     0.504667     0.375832    Biso  1.000000 O
   O62         1.0     0.743431     0.512595     0.623422    Biso  1.000000 O
   O63         1.0     0.739900     0.013634     0.253271    Biso  1.000000 O
   O64         1.0     0.740250     0.012323     0.503180    Biso  1.000000 O
   O65         1.0     0.259549     0.002171     0.247372    Biso  1.000000 O
   O66         1.0     0.257953     0.998779     0.497213    Biso  1.000000 O
   O67         1.0     0.761245     0.762037     0.312420    Biso  1.000000 O
   O68         1.0     0.761314     0.759787     0.562001    Biso  1.000000 O
   O69         1.0     0.240187     0.238689     0.188016    Biso  1.000000 O
   O70         1.0     0.237931     0.238766     0.437609    Biso  1.000000 O
   Fe1         1.0     0.120513     0.127231     0.279278    Biso  1.000000 Fe
   Fe2         1.0     0.116192     0.122119     0.527647    Biso  1.000000 Fe
   Fe3         1.0     0.877861     0.883790     0.222370    Biso  1.000000 Fe
   Fe4         1.0     0.872724     0.879440     0.470761    Biso  1.000000 Fe
   Fe5         1.0     0.625529     0.122349     0.155193    Biso  1.000000 Fe
   Fe6         1.0     0.622754     0.123322     0.407062    Biso  1.000000 Fe
   Fe7         1.0     0.372855     0.870586     0.343725    Biso  1.000000 Fe
   Fe8         1.0     0.375144     0.871078     0.595338    Biso  1.000000 Fe
   Fe9         1.0     0.128890     0.624847     0.154681    Biso  1.000000 Fe
   Fe10        1.0     0.129374     0.627140     0.406298    Biso  1.000000 Fe
   Fe11        1.0     0.876707     0.377213     0.342969    Biso  1.000000 Fe
   Fe12        1.0     0.877641     0.374463     0.594814    Biso  1.000000 Fe
   Fe13        1.0     0.628260     0.626758     0.281136    Biso  1.000000 Fe
   Fe14        1.0     0.633380     0.633435     0.527646    Biso  1.000000 Fe
   Fe15        1.0     0.366567     0.366612     0.222371    Biso  1.000000 Fe
   Fe16        1.0     0.373220     0.371769     0.468884    Biso  1.000000 Fe
   Fe17        1.0     0.480188     0.479037     0.134925    Biso  1.000000 Fe
   Fe18        1.0     0.500000     0.500000     0.375000    Biso  1.000000 Fe
   Fe19        1.0     0.520958     0.519769     0.615085    Biso  1.000000 Fe
   Fe20        1.0     0.254587     0.746201     0.248949    Biso  1.000000 Fe
   Fe21        1.0     0.253752     0.745362     0.501066    Biso  1.000000 Fe
   Fe22        1.0     0.744070     0.260334     0.248218    Biso  1.000000 Fe
   Fe23        1.0     0.739602     0.255933     0.501803    Biso  1.000000 Fe
   Fe24        1.0     0.746973     0.004191     0.313358    Biso  1.000000 Fe
   Fe25        1.0     0.255687     0.994093     0.186513    Biso  1.000000 Fe
   Fe26        1.0     0.248626     0.000250     0.436437    Biso  1.000000 Fe
   Fe27        1.0     0.995774     0.253068     0.436687    Biso  1.000000 Fe
   Fe28        1.0     0.999758     0.751340     0.313588    Biso  1.000000 Fe
   Fe29        1.0     0.005918     0.744298     0.563511    Biso  1.000000 Fe
   Fe30        1.0     0.498651     0.991934     0.249858    Biso  1.000000 Fe
   Fe31        1.0     0.493001     0.006802     0.501999    Biso  1.000000 Fe
   Fe32        1.0     0.247265     0.247531     0.129541    Biso  1.000000 Fe
   Fe33        1.0     0.249448     0.249361     0.374381    Biso  1.000000 Fe
   Fe34        1.0     0.230352     0.230051     0.615584    Biso  1.000000 Fe
   Fe35        1.0     0.769897     0.769623     0.134422    Biso  1.000000 Fe
   Fe36        1.0     0.750635     0.750523     0.375642    Biso  1.000000 Fe
   Fe37        1.0     0.752467     0.752703     0.620479    Biso  1.000000 Fe
   Fe38        1.0     0.750841     0.501170     0.436224    Biso  1.000000 Fe
   Fe39        1.0     0.253771     0.494531     0.313100    Biso  1.000000 Fe
   Fe40        1.0     0.266254     0.484496     0.563885    Biso  1.000000 Fe
   Fe41        1.0     0.993215     0.506957     0.248028    Biso  1.000000 Fe
   Fe42        1.0     0.008036     0.501358     0.500162    Biso  1.000000 Fe
   Fe43        1.0     0.498815     0.249082     0.313787    Biso  1.000000 Fe
   Fe44        1.0     0.515471     0.733780     0.186125    Biso  1.000000 Fe
   Fe45        1.0     0.505452     0.746266     0.436934    Biso  1.000000 Fe
   Fe46        1.0     0.001905     0.001632     0.130048    Biso  1.000000 Fe
   Fe47        1.0    -0.000465     0.000427     0.375045    Biso  1.000000 Fe
   Fe48        1.0     0.998377     0.998091     0.619971    Biso  1.000000 Fe
   Fe49        1.0     0.734447     0.014575     0.564567    Biso  1.000000 Fe
   Fe50        1.0     0.985420     0.265549     0.185453    Biso  1.000000 Fe
