
#======================================================================
# 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     0.255660     0.248713     0.314569    Biso  1.000000 O
   O2          1.0     0.250871     0.254978     0.563312    Biso  1.000000 O
   O3          1.0     0.741965     0.750421     0.187557    Biso  1.000000 O
   O4          1.0     0.741178     0.741458     0.435936    Biso  1.000000 O
   O5          1.0     0.487394     0.988562     0.190428    Biso  1.000000 O
   O6          1.0     0.499785    -0.000835     0.440446    Biso  1.000000 O
   O7          1.0     0.510813     0.997788     0.309458    Biso  1.000000 O
   O8          1.0     0.510450     0.010196     0.560188    Biso  1.000000 O
   O9          1.0     0.014790     0.769459     0.118051    Biso  1.000000 O
   O10         1.0     0.003056     0.758461     0.375137    Biso  1.000000 O
   O11         1.0     0.005901     0.737121     0.621898    Biso  1.000000 O
   O12         1.0     0.007809     0.246926     0.127811    Biso  1.000000 O
   O13         1.0     0.008859     0.239913     0.374277    Biso  1.000000 O
   O14         1.0     0.000200     0.259300     0.635076    Biso  1.000000 O
   O15         1.0     0.757223     0.509062     0.248808    Biso  1.000000 O
   O16         1.0     0.754139     0.500537     0.500870    Biso  1.000000 O
   O17         1.0     0.240382     0.514196     0.248755    Biso  1.000000 O
   O18         1.0     0.241633     0.506447     0.501469    Biso  1.000000 O
   O19         1.0     0.003416     0.497197     0.309164    Biso  1.000000 O
   O20         1.0     0.011975     0.510285     0.560145    Biso  1.000000 O
   O21         1.0     0.986336     0.489677     0.190176    Biso  1.000000 O
   O22         1.0    -0.001072     0.499119     0.440915    Biso  1.000000 O
   O23         1.0     0.494981     0.245136     0.248938    Biso  1.000000 O
   O24         1.0     0.490439     0.238495     0.501590    Biso  1.000000 O
   O25         1.0     0.489420     0.758558     0.248738    Biso  1.000000 O
   O26         1.0     0.485181     0.755075     0.501316    Biso  1.000000 O
   O27         1.0     0.261189     0.994782     0.128698    Biso  1.000000 O
   O28         1.0     0.240404     0.008408     0.374062    Biso  1.000000 O
   O29         1.0     0.230761     0.983805     0.632503    Biso  1.000000 O
   O30         1.0     0.739314     0.000152     0.115737    Biso  1.000000 O
   O31         1.0     0.755663     0.003471     0.372122    Biso  1.000000 O
   O32         1.0     0.753032     0.990053     0.622723    Biso  1.000000 O
   O33         1.0     0.260862     0.767360     0.189088    Biso  1.000000 O
   O34         1.0     0.252772     0.754331     0.441331    Biso  1.000000 O
   O35         1.0     0.742958     0.240864     0.309461    Biso  1.000000 O
   O36         1.0     0.729635     0.231984     0.562479    Biso  1.000000 O
   O37         1.0     0.492515     0.502306     0.313947    Biso  1.000000 O
   O38         1.0     0.486505     0.485549     0.562462    Biso  1.000000 O
   O39         1.0     0.511000     0.513816     0.187992    Biso  1.000000 O
   O40         1.0     0.495007     0.496310     0.434795    Biso  1.000000 O
   O41         1.0     0.003997     0.260682     0.248412    Biso  1.000000 O
   O42         1.0     0.000131     0.254472     0.500916    Biso  1.000000 O
   O43         1.0     0.009941     0.745036     0.248963    Biso  1.000000 O
   O44         1.0     0.005846     0.740751     0.501741    Biso  1.000000 O
   O45         1.0     0.010187     0.013889     0.188392    Biso  1.000000 O
   O46         1.0     0.993772     0.996823     0.435077    Biso  1.000000 O
   O47         1.0     0.987272     0.002000     0.313968    Biso  1.000000 O
   O48         1.0     0.985831     0.985393     0.562557    Biso  1.000000 O
   O49         1.0     0.484570     0.745287     0.128839    Biso  1.000000 O
   O50         1.0     0.493558     0.738313     0.374369    Biso  1.000000 O
   O51         1.0     0.479156     0.759824     0.632979    Biso  1.000000 O
   O52         1.0     0.492620     0.268091     0.115255    Biso  1.000000 O
   O53         1.0     0.486706     0.255912     0.374863    Biso  1.000000 O
   O54         1.0     0.481386     0.238608     0.622433    Biso  1.000000 O
   O55         1.0     0.765262     0.270571     0.187899    Biso  1.000000 O
   O56         1.0     0.752347     0.252799     0.439744    Biso  1.000000 O
   O57         1.0     0.243216     0.754946     0.308554    Biso  1.000000 O
   O58         1.0     0.233565     0.736118     0.561314    Biso  1.000000 O
   O59         1.0     0.238865     0.520641     0.117625    Biso  1.000000 O
   O60         1.0     0.254194     0.488732     0.375124    Biso  1.000000 O
   O61         1.0     0.255209     0.513735     0.621722    Biso  1.000000 O
   O62         1.0     0.759663     0.519815     0.128155    Biso  1.000000 O
   O63         1.0     0.737741     0.493038     0.373705    Biso  1.000000 O
   O64         1.0     0.732335     0.506512     0.635305    Biso  1.000000 O
   O65         1.0     0.742253    -0.000698     0.251853    Biso  1.000000 O
   O66         1.0     0.738438     0.992318     0.501869    Biso  1.000000 O
   O67         1.0     0.256331     0.995391     0.248868    Biso  1.000000 O
   O68         1.0     0.254502     0.986237     0.501180    Biso  1.000000 O
   O69         1.0     0.755705     0.760942     0.313619    Biso  1.000000 O
   O70         1.0     0.752511     0.752954     0.563551    Biso  1.000000 O
   O71         1.0     0.243678     0.246698     0.186693    Biso  1.000000 O
   O72         1.0     0.240761     0.240982     0.434935    Biso  1.000000 O
   Fe1         1.0     0.124068     0.125947     0.282336    Biso  1.000000 Fe
   Fe2         1.0     0.121470     0.118506     0.532604    Biso  1.000000 Fe
   Fe3         1.0     0.877470     0.878805     0.218610    Biso  1.000000 Fe
   Fe4         1.0     0.870901     0.867964     0.468445    Biso  1.000000 Fe
   Fe5         1.0     0.622933     0.127079     0.406875    Biso  1.000000 Fe
   Fe6         1.0     0.373597     0.875753     0.342845    Biso  1.000000 Fe
   Fe7         1.0     0.126265     0.624151     0.407830    Biso  1.000000 Fe
   Fe8         1.0     0.874644     0.369432     0.342679    Biso  1.000000 Fe
   Fe9         1.0     0.622533     0.631242     0.282510    Biso  1.000000 Fe
   Fe10        1.0     0.618193     0.622408     0.532498    Biso  1.000000 Fe
   Fe11        1.0     0.373182     0.381918     0.217722    Biso  1.000000 Fe
   Fe12        1.0     0.368271     0.371659     0.467859    Biso  1.000000 Fe
   Fe13        1.0     0.493568     0.501743     0.124133    Biso  1.000000 Fe
   Fe14        1.0     0.500000     0.500000     0.375000    Biso  1.000000 Fe
   Fe15        1.0     0.498778     0.505536     0.626312    Biso  1.000000 Fe
   Fe16        1.0     0.247233     0.750765     0.249586    Biso  1.000000 Fe
   Fe17        1.0     0.247810     0.748746     0.501576    Biso  1.000000 Fe
   Fe18        1.0     0.745608     0.252384     0.248550    Biso  1.000000 Fe
   Fe19        1.0     0.747974     0.249424     0.501246    Biso  1.000000 Fe
   Fe20        1.0     0.750588     0.001341     0.313030    Biso  1.000000 Fe
   Fe21        1.0     0.745152     0.994190     0.561378    Biso  1.000000 Fe
   Fe22        1.0     0.249983     0.010183     0.188674    Biso  1.000000 Fe
   Fe23        1.0     0.246912     0.997523     0.437592    Biso  1.000000 Fe
   Fe24        1.0     0.003545     0.254744     0.189128    Biso  1.000000 Fe
   Fe25        1.0     0.995215     0.247949     0.437964    Biso  1.000000 Fe
   Fe26        1.0    -0.000109     0.748865     0.312990    Biso  1.000000 Fe
   Fe27        1.0     0.988516     0.745565     0.561896    Biso  1.000000 Fe
   Fe28        1.0     0.504092     0.011555     0.249470    Biso  1.000000 Fe
   Fe29        1.0     0.496191     0.996533     0.499867    Biso  1.000000 Fe
   Fe30        1.0     0.255991     0.265882     0.123880    Biso  1.000000 Fe
   Fe31        1.0     0.247432     0.250650     0.374717    Biso  1.000000 Fe
   Fe32        1.0     0.234545     0.244020     0.626250    Biso  1.000000 Fe
   Fe33        1.0     0.755355     0.766346     0.124388    Biso  1.000000 Fe
   Fe34        1.0     0.747729     0.745617     0.375513    Biso  1.000000 Fe
   Fe35        1.0     0.734336     0.742876     0.626560    Biso  1.000000 Fe
   Fe36        1.0     0.749187     0.509011     0.188901    Biso  1.000000 Fe
   Fe37        1.0     0.746570     0.496528     0.437552    Biso  1.000000 Fe
   Fe38        1.0     0.249027     0.502137     0.312419    Biso  1.000000 Fe
   Fe39        1.0     0.245457     0.491571     0.561522    Biso  1.000000 Fe
   Fe40        1.0     0.998346     0.503548     0.249919    Biso  1.000000 Fe
   Fe41        1.0     0.988542     0.488966     0.500329    Biso  1.000000 Fe
   Fe42        1.0     0.498265     0.251065     0.311940    Biso  1.000000 Fe
   Fe43        1.0     0.491667     0.246654     0.561416    Biso  1.000000 Fe
   Fe44        1.0     0.504852     0.754496     0.189092    Biso  1.000000 Fe
   Fe45        1.0     0.497828     0.747720     0.437492    Biso  1.000000 Fe
   Fe46        1.0     0.994038     0.003825     0.124354    Biso  1.000000 Fe
   Fe47        1.0    -0.001004    -0.005326     0.376467    Biso  1.000000 Fe
   Fe48        1.0     0.996389     0.005229     0.626367    Biso  1.000000 Fe
   Fe49        1.0     0.253870     0.760978     0.618789    Biso  1.000000 Fe
   Fe50        1.0     0.485186     0.994581     0.623391    Biso  1.000000 Fe
   Fe51        1.0     0.757854     0.266423     0.620221    Biso  1.000000 Fe
   Fe52        1.0     0.985488     0.492625     0.624127    Biso  1.000000 Fe
   Fe53        1.0     0.004349     0.515302     0.127394    Biso  1.000000 Fe
   Fe54        1.0     0.237612     0.746069     0.131644    Biso  1.000000 Fe
   Fe55        1.0     0.505931     0.014845     0.126555    Biso  1.000000 Fe
   Fe56        1.0     0.732728     0.242383     0.130011    Biso  1.000000 Fe
