
#======================================================================
# 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     0.254863     0.250626     0.315020    Biso  1.000000 O
   O2          1.0     0.258483     0.259497     0.561242    Biso  1.000000 O
   O3          1.0     0.740690     0.741310     0.188756    Biso  1.000000 O
   O4          1.0     0.749341     0.745246     0.434978    Biso  1.000000 O
   O5          1.0     0.496122     0.995989     0.188474    Biso  1.000000 O
   O6          1.0     0.497422     0.997575     0.440852    Biso  1.000000 O
   O7          1.0     0.499968     0.999948     0.309927    Biso  1.000000 O
   O8          1.0     0.517833     0.018027     0.560564    Biso  1.000000 O
   O9          1.0     0.012711     0.736987     0.121126    Biso  1.000000 O
   O10         1.0     0.992087     0.758050     0.375126    Biso  1.000000 O
   O11         1.0     0.015674     0.773047     0.621311    Biso  1.000000 O
   O12         1.0     0.022814     0.265505     0.128687    Biso  1.000000 O
   O13         1.0     0.008110     0.241984     0.374225    Biso  1.000000 O
   O14         1.0     0.009081     0.240848     0.626153    Biso  1.000000 O
   O15         1.0     0.757936     0.502129     0.248392    Biso  1.000000 O
   O16         1.0     0.758716     0.503796     0.500482    Biso  1.000000 O
   O17         1.0     0.238648     0.511531     0.248987    Biso  1.000000 O
   O18         1.0     0.241384     0.508168     0.501927    Biso  1.000000 O
   O19         1.0     0.002485     0.502497     0.309145    Biso  1.000000 O
   O20         1.0     0.003887     0.504072     0.561526    Biso  1.000000 O
   O21         1.0     0.982172     0.482021     0.189439    Biso  1.000000 O
   O22         1.0    -0.000005     0.500133     0.440073    Biso  1.000000 O
   O23         1.0     0.496390     0.241200     0.249527    Biso  1.000000 O
   O24         1.0     0.497781     0.242195     0.501606    Biso  1.000000 O
   O25         1.0     0.491989     0.758505     0.248071    Biso  1.000000 O
   O26         1.0     0.488377     0.761506     0.501011    Biso  1.000000 O
   O27         1.0     0.227127     0.984264     0.128687    Biso  1.000000 O
   O28         1.0     0.241982     0.007916     0.374875    Biso  1.000000 O
   O29         1.0     0.262939     0.987474     0.628875    Biso  1.000000 O
   O30         1.0     0.759332     0.990806     0.123866    Biso  1.000000 O
   O31         1.0     0.758015     0.991916     0.375773    Biso  1.000000 O
   O32         1.0     0.734387     0.977387     0.621322    Biso  1.000000 O
   O33         1.0     0.267680     0.767532     0.189269    Biso  1.000000 O
   O34         1.0     0.249803     0.749833     0.441226    Biso  1.000000 O
   O35         1.0     0.744938     0.244852     0.310981    Biso  1.000000 O
   O36         1.0     0.745321     0.245512     0.562299    Biso  1.000000 O
   O37         1.0     0.495453     0.501724     0.314633    Biso  1.000000 O
   O38         1.0     0.491082     0.491097     0.560463    Biso  1.000000 O
   O39         1.0     0.509078     0.508746     0.189525    Biso  1.000000 O
   O40         1.0     0.498246     0.504629     0.435371    Biso  1.000000 O
   O41         1.0     0.002225     0.257852     0.248389    Biso  1.000000 O
   O42         1.0     0.003625     0.258840     0.500478    Biso  1.000000 O
   O43         1.0     0.011662     0.738553     0.248993    Biso  1.000000 O
   O44         1.0     0.008042     0.741568     0.501925    Biso  1.000000 O
   O45         1.0     0.008940     0.008938     0.189537    Biso  1.000000 O
   O46         1.0     0.004486     0.998429     0.435363    Biso  1.000000 O
   O47         1.0     0.001660     0.995505     0.314631    Biso  1.000000 O
   O48         1.0     0.990941     0.991319     0.560476    Biso  1.000000 O
   O49         1.0     0.484367     0.727026     0.128687    Biso  1.000000 O
   O50         1.0     0.507777     0.742245     0.374880    Biso  1.000000 O
   O51         1.0     0.487323     0.763050     0.628877    Biso  1.000000 O
   O52         1.0     0.490948     0.259212     0.123851    Biso  1.000000 O
   O53         1.0     0.491758     0.258341     0.375778    Biso  1.000000 O
   O54         1.0     0.477188     0.234581     0.621314    Biso  1.000000 O
   O55         1.0     0.754686     0.254553     0.187701    Biso  1.000000 O
   O56         1.0     0.755077     0.255145     0.439018    Biso  1.000000 O
   O57         1.0     0.250240     0.750152     0.308774    Biso  1.000000 O
   O58         1.0     0.232332     0.732494     0.560733    Biso  1.000000 O
   O59         1.0     0.237086     0.512583     0.121125    Biso  1.000000 O
   O60         1.0     0.257754     0.492247     0.375117    Biso  1.000000 O
   O61         1.0     0.272899     0.515779     0.621318    Biso  1.000000 O
   O62         1.0     0.765640     0.522700     0.128678    Biso  1.000000 O
   O63         1.0     0.741682     0.508247     0.374227    Biso  1.000000 O
   O64         1.0     0.740713     0.509275     0.626133    Biso  1.000000 O
   O65         1.0     0.741278     0.996263     0.249518    Biso  1.000000 O
   O66         1.0     0.742070     0.997928     0.501608    Biso  1.000000 O
   O67         1.0     0.258620     0.991872     0.248077    Biso  1.000000 O
   O68         1.0     0.261380     0.988511     0.501004    Biso  1.000000 O
   O69         1.0     0.750668     0.754835     0.315024    Biso  1.000000 O
   O70         1.0     0.759338     0.758772     0.561243    Biso  1.000000 O
   O71         1.0     0.241532     0.240516     0.188757    Biso  1.000000 O
   O72         1.0     0.245109     0.249438     0.434976    Biso  1.000000 O
   Fe1         1.0     0.128260     0.123868     0.281514    Biso  1.000000 Fe
   Fe2         1.0     0.129298     0.122681     0.531268    Biso  1.000000 Fe
   Fe3         1.0     0.877475     0.870594     0.218725    Biso  1.000000 Fe
   Fe4         1.0     0.876067     0.871885     0.468485    Biso  1.000000 Fe
   Fe5         1.0     0.625257     0.125171     0.152487    Biso  1.000000 Fe
   Fe6         1.0     0.625013     0.125252     0.407514    Biso  1.000000 Fe
   Fe7         1.0     0.374043     0.874258     0.342929    Biso  1.000000 Fe
   Fe8         1.0     0.125742     0.625988     0.407067    Biso  1.000000 Fe
   Fe9         1.0     0.874771     0.374990     0.342486    Biso  1.000000 Fe
   Fe10        1.0     0.874752     0.374882     0.597513    Biso  1.000000 Fe
   Fe11        1.0     0.623939     0.628188     0.281515    Biso  1.000000 Fe
   Fe12        1.0     0.622552     0.629457     0.531279    Biso  1.000000 Fe
   Fe13        1.0     0.370734     0.377351     0.218732    Biso  1.000000 Fe
   Fe14        1.0     0.371729     0.376189     0.468487    Biso  1.000000 Fe
   Fe15        1.0     0.502901     0.489801     0.125845    Biso  1.000000 Fe
   Fe16        1.0     0.500000     0.500000     0.375000    Biso  1.000000 Fe
   Fe17        1.0     0.510133     0.497335     0.624144    Biso  1.000000 Fe
   Fe18        1.0     0.249240     0.749121     0.249311    Biso  1.000000 Fe
   Fe19        1.0     0.250778     0.750934     0.500682    Biso  1.000000 Fe
   Fe20        1.0     0.747531     0.247400     0.249753    Biso  1.000000 Fe
   Fe21        1.0     0.752454     0.252652     0.500246    Biso  1.000000 Fe
   Fe22        1.0     0.750233     0.000076     0.312193    Biso  1.000000 Fe
   Fe23        1.0     0.757794     0.002698     0.562798    Biso  1.000000 Fe
   Fe24        1.0     0.253702     0.007051     0.187129    Biso  1.000000 Fe
   Fe25        1.0     0.250128     0.998607     0.437749    Biso  1.000000 Fe
   Fe26        1.0     0.997557     0.242109     0.187209    Biso  1.000000 Fe
   Fe27        1.0    -0.000140     0.249870     0.437806    Biso  1.000000 Fe
   Fe28        1.0     0.001488     0.749825     0.312252    Biso  1.000000 Fe
   Fe29        1.0     0.992832     0.746500     0.562867    Biso  1.000000 Fe
   Fe30        1.0     0.506637     0.006547     0.251272    Biso  1.000000 Fe
   Fe31        1.0     0.502758     0.002878     0.501196    Biso  1.000000 Fe
   Fe32        1.0     0.260219     0.247448     0.125525    Biso  1.000000 Fe
   Fe33        1.0     0.250048     0.249952     0.375005    Biso  1.000000 Fe
   Fe34        1.0     0.239794     0.252796     0.624484    Biso  1.000000 Fe
   Fe35        1.0     0.747528     0.760093     0.125524    Biso  1.000000 Fe
   Fe36        1.0     0.750040     0.749963     0.375000    Biso  1.000000 Fe
   Fe37        1.0     0.752565     0.739999     0.624483    Biso  1.000000 Fe
   Fe38        1.0     0.742217     0.497377     0.187202    Biso  1.000000 Fe
   Fe39        1.0     0.749691     0.499925     0.437797    Biso  1.000000 Fe
   Fe40        1.0     0.249780     0.501361     0.312233    Biso  1.000000 Fe
   Fe41        1.0     0.246301     0.492989     0.562867    Biso  1.000000 Fe
   Fe42        1.0     0.997251     0.497190     0.248807    Biso  1.000000 Fe
   Fe43        1.0     0.993365     0.493495     0.498731    Biso  1.000000 Fe
   Fe44        1.0     0.500175     0.250264     0.312205    Biso  1.000000 Fe
   Fe45        1.0     0.502438     0.257937     0.562795    Biso  1.000000 Fe
   Fe46        1.0     0.507188     0.753562     0.187129    Biso  1.000000 Fe
   Fe47        1.0     0.498587     0.750289     0.437766    Biso  1.000000 Fe
   Fe48        1.0     0.989887     0.002842     0.125854    Biso  1.000000 Fe
   Fe49        1.0    -0.000911     0.000911     0.374993    Biso  1.000000 Fe
   Fe50        1.0     0.997180     0.010281     0.624155    Biso  1.000000 Fe
   Fe51        1.0     0.255814     0.755957     0.619158    Biso  1.000000 Fe
   Fe52        1.0     0.494478     0.994638     0.619137    Biso  1.000000 Fe
   Fe53        1.0     0.005526     0.505432     0.130865    Biso  1.000000 Fe
   Fe54        1.0     0.244207     0.744119     0.130838    Biso  1.000000 Fe
