
#======================================================================
# 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     0.257587     0.256487     0.314826    Biso  1.000000 O
   O2          1.0     0.242574     0.252857     0.565809    Biso  1.000000 O
   O3          1.0     0.747139     0.757435     0.184188    Biso  1.000000 O
   O4          1.0     0.743511     0.742412     0.435175    Biso  1.000000 O
   O5          1.0     0.479409     0.979424     0.190377    Biso  1.000000 O
   O6          1.0     0.499113     0.999148     0.440187    Biso  1.000000 O
   O7          1.0     0.498489     0.998535     0.309306    Biso  1.000000 O
   O8          1.0     0.503353     0.003349     0.561141    Biso  1.000000 O
   O9          1.0     0.983438     0.728300     0.119901    Biso  1.000000 O
   O10         1.0     0.990720     0.758141     0.375268    Biso  1.000000 O
   O11         1.0     0.969139     0.767694     0.622942    Biso  1.000000 O
   O12         1.0     0.990172     0.257127     0.114875    Biso  1.000000 O
   O13         1.0     0.008122     0.243052     0.374434    Biso  1.000000 O
   O14         1.0     0.997360     0.234607     0.633291    Biso  1.000000 O
   O15         1.0     0.760957     0.493703     0.249135    Biso  1.000000 O
   O16         1.0     0.758951     0.486827     0.501455    Biso  1.000000 O
   O17         1.0     0.242258     0.499743     0.248851    Biso  1.000000 O
   O18         1.0     0.243287     0.492394     0.503187    Biso  1.000000 O
   O19         1.0     0.000852     0.500885     0.309815    Biso  1.000000 O
   O20         1.0     0.020586     0.520593     0.559622    Biso  1.000000 O
   O21         1.0     0.996658     0.496663     0.188862    Biso  1.000000 O
   O22         1.0     0.001464     0.501504     0.440694    Biso  1.000000 O
   O23         1.0     0.513178     0.241058     0.248543    Biso  1.000000 O
   O24         1.0     0.506303     0.239053     0.500864    Biso  1.000000 O
   O25         1.0     0.507619     0.756719     0.246813    Biso  1.000000 O
   O26         1.0     0.500273     0.757753     0.501148    Biso  1.000000 O
   O27         1.0     0.232315     0.030865     0.127054    Biso  1.000000 O
   O28         1.0     0.241858     0.009284     0.374731    Biso  1.000000 O
   O29         1.0     0.271722     0.016565     0.630103    Biso  1.000000 O
   O30         1.0     0.765403     0.002669     0.116711    Biso  1.000000 O
   O31         1.0     0.756953     0.991880     0.375564    Biso  1.000000 O
   O32         1.0     0.742897     0.009842     0.635123    Biso  1.000000 O
   O33         1.0     0.259632     0.759635     0.187691    Biso  1.000000 O
   O34         1.0     0.253620     0.753603     0.439151    Biso  1.000000 O
   O35         1.0     0.745083     0.245068     0.309583    Biso  1.000000 O
   O36         1.0     0.741939     0.241939     0.560358    Biso  1.000000 O
   O37         1.0     0.502350     0.502198     0.314800    Biso  1.000000 O
   O38         1.0     0.489783     0.493093     0.563954    Biso  1.000000 O
   O39         1.0     0.506916     0.510220     0.186044    Biso  1.000000 O
   O40         1.0     0.497804     0.497655     0.435200    Biso  1.000000 O
   O41         1.0     0.993710     0.260966     0.249131    Biso  1.000000 O
   O42         1.0     0.986829     0.258952     0.501458    Biso  1.000000 O
   O43         1.0     0.999743     0.742253     0.248853    Biso  1.000000 O
   O44         1.0     0.992406     0.743281     0.503182    Biso  1.000000 O
   O45         1.0     0.010214     0.006915     0.186045    Biso  1.000000 O
   O46         1.0     0.997565     0.997892     0.435200    Biso  1.000000 O
   O47         1.0     0.002112     0.002433     0.314799    Biso  1.000000 O
   O48         1.0     0.993088     0.989787     0.563956    Biso  1.000000 O
   O49         1.0     0.530859     0.732324     0.127055    Biso  1.000000 O
   O50         1.0     0.509141     0.742134     0.374737    Biso  1.000000 O
   O51         1.0     0.516565     0.771717     0.630098    Biso  1.000000 O
   O52         1.0     0.502665     0.265395     0.116708    Biso  1.000000 O
   O53         1.0     0.491776     0.257183     0.375572    Biso  1.000000 O
   O54         1.0     0.509837     0.242893     0.635125    Biso  1.000000 O
   O55         1.0     0.758073     0.258076     0.189647    Biso  1.000000 O
   O56         1.0     0.754935     0.254924     0.440414    Biso  1.000000 O
   O57         1.0     0.246398     0.746383     0.310847    Biso  1.000000 O
   O58         1.0     0.240376     0.740371     0.562310    Biso  1.000000 O
   O59         1.0     0.228280     0.483431     0.119902    Biso  1.000000 O
   O60         1.0     0.257868     0.490863     0.375264    Biso  1.000000 O
   O61         1.0     0.267698     0.469124     0.622940    Biso  1.000000 O
   O62         1.0     0.757127     0.490210     0.114875    Biso  1.000000 O
   O63         1.0     0.742820     0.508228     0.374427    Biso  1.000000 O
   O64         1.0     0.734607     0.497359     0.633293    Biso  1.000000 O
   O65         1.0     0.741053     0.013180     0.248539    Biso  1.000000 O
   O66         1.0     0.739045     0.006299     0.500867    Biso  1.000000 O
   O67         1.0     0.256711     0.007607     0.246816    Biso  1.000000 O
   O68         1.0     0.257750     0.000267     0.501144    Biso  1.000000 O
   O69         1.0     0.756493     0.757587     0.314824    Biso  1.000000 O
   O70         1.0     0.752860     0.742563     0.565811    Biso  1.000000 O
   O71         1.0     0.257437     0.247145     0.184188    Biso  1.000000 O
   O72         1.0     0.242408     0.243519     0.435175    Biso  1.000000 O
   Fe1         1.0     0.125862     0.130814     0.281451    Biso  1.000000 Fe
   Fe2         1.0     0.118196     0.122694     0.531367    Biso  1.000000 Fe
   Fe3         1.0     0.877305     0.881804     0.218632    Biso  1.000000 Fe
   Fe4         1.0     0.869188     0.874142     0.468548    Biso  1.000000 Fe
   Fe5         1.0     0.617706     0.117683     0.162683    Biso  1.000000 Fe
   Fe6         1.0     0.625662     0.125832     0.407602    Biso  1.000000 Fe
   Fe7         1.0     0.374493     0.874703     0.343476    Biso  1.000000 Fe
   Fe8         1.0     0.371659     0.871658     0.592530    Biso  1.000000 Fe
   Fe9         1.0     0.128347     0.628357     0.157472    Biso  1.000000 Fe
   Fe10        1.0     0.125299     0.625507     0.406524    Biso  1.000000 Fe
   Fe11        1.0     0.874170     0.374337     0.342396    Biso  1.000000 Fe
   Fe12        1.0     0.882320     0.382297     0.587319    Biso  1.000000 Fe
   Fe13        1.0     0.630803     0.625873     0.281452    Biso  1.000000 Fe
   Fe14        1.0     0.622707     0.618185     0.531367    Biso  1.000000 Fe
   Fe15        1.0     0.381821     0.377304     0.218632    Biso  1.000000 Fe
   Fe16        1.0     0.374128     0.369203     0.468548    Biso  1.000000 Fe
   Fe17        1.0     0.497707     0.502906     0.121338    Biso  1.000000 Fe
   Fe18        1.0     0.500000     0.500000     0.375000    Biso  1.000000 Fe
   Fe19        1.0     0.497111     0.502291     0.628659    Biso  1.000000 Fe
   Fe20        1.0     0.252475     0.752481     0.250390    Biso  1.000000 Fe
   Fe21        1.0     0.247509     0.747513     0.499610    Biso  1.000000 Fe
   Fe22        1.0     0.755465     0.255466     0.248257    Biso  1.000000 Fe
   Fe23        1.0     0.744539     0.244539     0.501742    Biso  1.000000 Fe
   Fe24        1.0     0.751149     0.001878     0.312065    Biso  1.000000 Fe
   Fe25        1.0     0.748054     0.996849     0.566341    Biso  1.000000 Fe
   Fe26        1.0     0.245943     0.001196     0.185623    Biso  1.000000 Fe
   Fe27        1.0     0.247698     0.997948     0.437993    Biso  1.000000 Fe
   Fe28        1.0     0.003163     0.251957     0.183657    Biso  1.000000 Fe
   Fe29        1.0     0.998125     0.248850     0.437932    Biso  1.000000 Fe
   Fe30        1.0     0.002049     0.752304     0.312007    Biso  1.000000 Fe
   Fe31        1.0     0.998813     0.754060     0.564376    Biso  1.000000 Fe
   Fe32        1.0     0.498131     0.998140     0.251157    Biso  1.000000 Fe
   Fe33        1.0     0.494767     0.994770     0.499123    Biso  1.000000 Fe
   Fe34        1.0     0.268396     0.252503     0.126410    Biso  1.000000 Fe
   Fe35        1.0     0.250035     0.249973     0.375000    Biso  1.000000 Fe
   Fe36        1.0     0.231621     0.247492     0.623589    Biso  1.000000 Fe
   Fe37        1.0     0.752502     0.768388     0.126409    Biso  1.000000 Fe
   Fe38        1.0     0.750024     0.749968     0.374999    Biso  1.000000 Fe
   Fe39        1.0     0.747501     0.731608     0.623588    Biso  1.000000 Fe
   Fe40        1.0     0.751950     0.503158     0.183659    Biso  1.000000 Fe
   Fe41        1.0     0.748786     0.498088     0.437919    Biso  1.000000 Fe
   Fe42        1.0     0.252245     0.502033     0.311994    Biso  1.000000 Fe
   Fe43        1.0     0.254062     0.498800     0.564375    Biso  1.000000 Fe
   Fe44        1.0     0.005236     0.505238     0.250876    Biso  1.000000 Fe
   Fe45        1.0     0.001860     0.501871     0.498842    Biso  1.000000 Fe
   Fe46        1.0     0.501915     0.251216     0.312079    Biso  1.000000 Fe
   Fe47        1.0     0.496859     0.248053     0.566341    Biso  1.000000 Fe
   Fe48        1.0     0.501197     0.745947     0.185623    Biso  1.000000 Fe
   Fe49        1.0     0.497972     0.747759     0.438006    Biso  1.000000 Fe
   Fe50        1.0     0.002890     0.997724     0.121340    Biso  1.000000 Fe
   Fe51        1.0    -0.000782     0.000781     0.374999    Biso  1.000000 Fe
   Fe52        1.0     0.002283     0.997115     0.628660    Biso  1.000000 Fe
   Fe53        1.0     0.513570     0.013570     0.647173    Biso  1.000000 Fe
   Fe54        1.0     0.753109     0.253109     0.644706    Biso  1.000000 Fe
   Fe55        1.0     0.746905     0.246917     0.105294    Biso  1.000000 Fe
   Fe56        1.0     0.986440     0.486442     0.102827    Biso  1.000000 Fe
