
#======================================================================
# 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     0.259237     0.259830     0.313911    Biso  1.000000 O
   O2          1.0     0.241407     0.260962     0.559494    Biso  1.000000 O
   O3          1.0     0.738862     0.758626     0.190541    Biso  1.000000 O
   O4          1.0     0.739783     0.743883     0.435117    Biso  1.000000 O
   O5          1.0     0.487887     0.989599     0.191294    Biso  1.000000 O
   O6          1.0     0.492190     0.988203     0.438441    Biso  1.000000 O
   O7          1.0     0.494829     0.011215     0.310467    Biso  1.000000 O
   O8          1.0     0.493471     0.991025     0.562323    Biso  1.000000 O
   O9          1.0     0.990338     0.767382     0.127641    Biso  1.000000 O
   O10         1.0     0.991196     0.758837     0.375251    Biso  1.000000 O
   O11         1.0     0.972125     0.777252     0.618311    Biso  1.000000 O
   O12         1.0     0.008268     0.242431     0.126794    Biso  1.000000 O
   O13         1.0     0.009124     0.241433     0.373016    Biso  1.000000 O
   O14         1.0     0.017193     0.240157     0.622520    Biso  1.000000 O
   O15         1.0     0.763116     0.487184     0.253160    Biso  1.000000 O
   O16         1.0     0.759169     0.486790     0.499151    Biso  1.000000 O
   O17         1.0     0.238543     0.509445     0.253052    Biso  1.000000 O
   O18         1.0     0.240295     0.508755     0.500274    Biso  1.000000 O
   O19         1.0     0.011418     0.506974     0.310972    Biso  1.000000 O
   O20         1.0     0.010846     0.512394     0.558861    Biso  1.000000 O
   O21         1.0     0.009005     0.506239     0.187636    Biso  1.000000 O
   O22         1.0    -0.000316     0.502352     0.439214    Biso  1.000000 O
   O23         1.0     0.510688     0.240633     0.253270    Biso  1.000000 O
   O24         1.0     0.512759     0.236994     0.496629    Biso  1.000000 O
   O25         1.0     0.492260     0.759341     0.250106    Biso  1.000000 O
   O26         1.0     0.490842     0.761107     0.496620    Biso  1.000000 O
   O27         1.0     0.222956     0.028248     0.131825    Biso  1.000000 O
   O28         1.0     0.238486     0.007234     0.374122    Biso  1.000000 O
   O29         1.0     0.232792     0.009735     0.622529    Biso  1.000000 O
   O30         1.0     0.759967     0.983052     0.127566    Biso  1.000000 O
   O31         1.0     0.759367     0.990145     0.375795    Biso  1.000000 O
   O32         1.0     0.757746     0.991614     0.623528    Biso  1.000000 O
   O33         1.0     0.261581     0.761329     0.191395    Biso  1.000000 O
   O34         1.0     0.259740     0.749383     0.438778    Biso  1.000000 O
   O35         1.0     0.738095     0.244300     0.311826    Biso  1.000000 O
   O36         1.0     0.757039     0.256699     0.562867    Biso  1.000000 O
   O37         1.0     0.488877     0.489486     0.311250    Biso  1.000000 O
   O38         1.0     0.488300     0.509650     0.559304    Biso  1.000000 O
   O39         1.0     0.490504     0.510776     0.191020    Biso  1.000000 O
   O40         1.0     0.496518     0.512612     0.437196    Biso  1.000000 O
   O41         1.0     0.987279     0.262307     0.253638    Biso  1.000000 O
   O42         1.0     0.986829     0.259391     0.499064    Biso  1.000000 O
   O43         1.0     0.009962     0.737136     0.250572    Biso  1.000000 O
   O44         1.0     0.006965     0.743574     0.499312    Biso  1.000000 O
   O45         1.0     0.010941     0.992746     0.190485    Biso  1.000000 O
   O46         1.0     0.007248    -0.001605     0.434939    Biso  1.000000 O
   O47         1.0     0.001529     0.992442     0.314522    Biso  1.000000 O
   O48         1.0     0.007921     0.988922     0.559524    Biso  1.000000 O
   O49         1.0     0.527433     0.722256     0.131750    Biso  1.000000 O
   O50         1.0     0.508339     0.753695     0.376736    Biso  1.000000 O
   O51         1.0     0.509515     0.732716     0.622539    Biso  1.000000 O
   O52         1.0     0.482756     0.260141     0.127595    Biso  1.000000 O
   O53         1.0     0.490134     0.244350     0.373225    Biso  1.000000 O
   O54         1.0     0.491953     0.257726     0.623308    Biso  1.000000 O
   O55         1.0     0.741184     0.243789     0.187633    Biso  1.000000 O
   O56         1.0     0.755651     0.256240     0.436936    Biso  1.000000 O
   O57         1.0     0.254841     0.738806     0.310980    Biso  1.000000 O
   O58         1.0     0.238701     0.739244     0.558597    Biso  1.000000 O
   O59         1.0     0.267649     0.490409     0.127650    Biso  1.000000 O
   O60         1.0     0.252130     0.491330     0.372294    Biso  1.000000 O
   O61         1.0     0.277525     0.472483     0.618495    Biso  1.000000 O
   O62         1.0     0.742131     0.507960     0.126856    Biso  1.000000 O
   O63         1.0     0.745419     0.510595     0.372506    Biso  1.000000 O
   O64         1.0     0.739820     0.517439     0.622435    Biso  1.000000 O
   O65         1.0     0.739917     0.013690     0.250551    Biso  1.000000 O
   O66         1.0     0.737280     0.012730     0.496364    Biso  1.000000 O
   O67         1.0     0.256508     0.992090     0.250497    Biso  1.000000 O
   O68         1.0     0.262605     0.989887     0.499071    Biso  1.000000 O
   O69         1.0     0.744530     0.757928     0.314408    Biso  1.000000 O
   O70         1.0     0.759730     0.741916     0.559216    Biso  1.000000 O
   O71         1.0     0.259901     0.240019     0.191008    Biso  1.000000 O
   O72         1.0     0.243714     0.253935     0.434868    Biso  1.000000 O
   Fe1         1.0     0.122077     0.128329     0.281686    Biso  1.000000 Fe
   Fe2         1.0     0.124600     0.124939     0.528761    Biso  1.000000 Fe
   Fe3         1.0     0.875075     0.875605     0.221218    Biso  1.000000 Fe
   Fe4         1.0     0.870438     0.877942     0.468325    Biso  1.000000 Fe
   Fe5         1.0     0.610677     0.110857     0.153527    Biso  1.000000 Fe
   Fe6         1.0     0.624588     0.121219     0.408113    Biso  1.000000 Fe
   Fe7         1.0     0.374952     0.876696     0.343714    Biso  1.000000 Fe
   Fe8         1.0     0.360598     0.860697     0.596505    Biso  1.000000 Fe
   Fe9         1.0     0.139432     0.639407     0.153593    Biso  1.000000 Fe
   Fe10        1.0     0.125791     0.624949     0.406378    Biso  1.000000 Fe
   Fe11        1.0     0.876021     0.375861     0.341701    Biso  1.000000 Fe
   Fe12        1.0     0.889422     0.389600     0.596541    Biso  1.000000 Fe
   Fe13        1.0     0.626858     0.621481     0.280696    Biso  1.000000 Fe
   Fe14        1.0     0.624513     0.624640     0.528380    Biso  1.000000 Fe
   Fe15        1.0     0.375351     0.375290     0.222068    Biso  1.000000 Fe
   Fe16        1.0     0.377190     0.374431     0.469585    Biso  1.000000 Fe
   Fe17        1.0     0.507709     0.489458     0.133849    Biso  1.000000 Fe
   Fe18        1.0     0.500000     0.500000     0.375000    Biso  1.000000 Fe
   Fe19        1.0     0.510205     0.492396     0.616308    Biso  1.000000 Fe
   Fe20        1.0     0.245853     0.751442     0.250872    Biso  1.000000 Fe
   Fe21        1.0     0.248196     0.753199     0.499314    Biso  1.000000 Fe
   Fe22        1.0     0.755905     0.254585     0.244596    Biso  1.000000 Fe
   Fe23        1.0     0.745086     0.245244     0.506006    Biso  1.000000 Fe
   Fe24        1.0     0.748836     0.002306     0.312609    Biso  1.000000 Fe
   Fe25        1.0     0.243591     0.006908     0.188590    Biso  1.000000 Fe
   Fe26        1.0     0.252022     0.002831     0.437305    Biso  1.000000 Fe
   Fe27        1.0     0.995166     0.251514     0.437182    Biso  1.000000 Fe
   Fe28        1.0     0.998534     0.749268     0.312515    Biso  1.000000 Fe
   Fe29        1.0     0.992700     0.756145     0.561526    Biso  1.000000 Fe
   Fe30        1.0     0.503923     0.000485     0.250840    Biso  1.000000 Fe
   Fe31        1.0     0.504625     0.006060     0.505346    Biso  1.000000 Fe
   Fe32        1.0     0.242728     0.261040     0.133829    Biso  1.000000 Fe
   Fe33        1.0     0.249979     0.246113     0.376373    Biso  1.000000 Fe
   Fe34        1.0     0.257435     0.239595     0.616466    Biso  1.000000 Fe
   Fe35        1.0     0.760468     0.742631     0.133607    Biso  1.000000 Fe
   Fe36        1.0     0.751902     0.747514     0.374223    Biso  1.000000 Fe
   Fe37        1.0     0.739097     0.757440     0.616352    Biso  1.000000 Fe
   Fe38        1.0     0.748433     0.494445     0.436928    Biso  1.000000 Fe
   Fe39        1.0     0.246392     0.499975     0.312867    Biso  1.000000 Fe
   Fe40        1.0     0.254892     0.493989     0.561689    Biso  1.000000 Fe
   Fe41        1.0     0.994003     0.495501     0.244639    Biso  1.000000 Fe
   Fe42        1.0     0.995979     0.496297     0.498688    Biso  1.000000 Fe
   Fe43        1.0     0.503818     0.252081     0.313659    Biso  1.000000 Fe
   Fe44        1.0     0.506070     0.744206     0.188461    Biso  1.000000 Fe
   Fe45        1.0     0.499239     0.749701     0.437052    Biso  1.000000 Fe
   Fe46        1.0     0.989872     0.007835     0.133542    Biso  1.000000 Fe
   Fe47        1.0    -0.003578     0.001786     0.375392    Biso  1.000000 Fe
   Fe48        1.0     0.992341     0.010339     0.616452    Biso  1.000000 Fe
   Fe49        1.0     0.624636     0.124078     0.594919    Biso  1.000000 Fe
   Fe50        1.0     0.875157     0.375068     0.155363    Biso  1.000000 Fe
