
#======================================================================
# 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     0.256996     0.262431     0.312723    Biso  1.000000 O
   O2          1.0     0.243607     0.252929     0.560935    Biso  1.000000 O
   O3          1.0     0.747075     0.756431     0.189064    Biso  1.000000 O
   O4          1.0     0.737617     0.743030     0.437285    Biso  1.000000 O
   O5          1.0     0.485918     0.986267     0.187309    Biso  1.000000 O
   O6          1.0     0.489608     0.990525     0.438454    Biso  1.000000 O
   O7          1.0     0.496391     0.995557     0.310939    Biso  1.000000 O
   O8          1.0     0.490081     0.988156     0.562028    Biso  1.000000 O
   O9          1.0     0.997683     0.772276     0.125159    Biso  1.000000 O
   O10         1.0     0.000749     0.759606     0.372415    Biso  1.000000 O
   O11         1.0     0.971049     0.779349     0.622711    Biso  1.000000 O
   O12         1.0     0.009924     0.242256     0.126660    Biso  1.000000 O
   O13         1.0     0.003146     0.240750     0.373582    Biso  1.000000 O
   O14         1.0     0.015137     0.238599     0.623501    Biso  1.000000 O
   O15         1.0     0.763986     0.488488     0.252911    Biso  1.000000 O
   O16         1.0     0.760233     0.485572     0.499985    Biso  1.000000 O
   O17         1.0     0.237341     0.500402     0.252983    Biso  1.000000 O
   O18         1.0     0.239271     0.501611     0.501178    Biso  1.000000 O
   O19         1.0     0.009506     0.510445     0.311554    Biso  1.000000 O
   O20         1.0     0.013775     0.514122     0.562698    Biso  1.000000 O
   O21         1.0     0.011919     0.510006     0.187983    Biso  1.000000 O
   O22         1.0     0.004475     0.503642     0.439065    Biso  1.000000 O
   O23         1.0     0.514434     0.239781     0.250020    Biso  1.000000 O
   O24         1.0     0.511558     0.236048     0.497091    Biso  1.000000 O
   O25         1.0     0.498404     0.760753     0.248827    Biso  1.000000 O
   O26         1.0     0.499654     0.762677     0.497027    Biso  1.000000 O
   O27         1.0     0.220695     0.029043     0.127311    Biso  1.000000 O
   O28         1.0     0.240421    -0.000736     0.377589    Biso  1.000000 O
   O29         1.0     0.227825     0.002363     0.624841    Biso  1.000000 O
   O30         1.0     0.761435     0.984913     0.126514    Biso  1.000000 O
   O31         1.0     0.759275     0.996880     0.376421    Biso  1.000000 O
   O32         1.0     0.757830     0.990122     0.623348    Biso  1.000000 O
   O33         1.0     0.272761     0.770726     0.182621    Biso  1.000000 O
   O34         1.0     0.259533     0.760066     0.437807    Biso  1.000000 O
   O35         1.0     0.742263     0.242475     0.310392    Biso  1.000000 O
   O36         1.0     0.752131     0.254255     0.562780    Biso  1.000000 O
   O37         1.0     0.489034     0.505276     0.314307    Biso  1.000000 O
   O38         1.0     0.488919     0.510134     0.559522    Biso  1.000000 O
   O39         1.0     0.489900     0.511138     0.190482    Biso  1.000000 O
   O40         1.0     0.494755     0.510987     0.435696    Biso  1.000000 O
   O41         1.0     0.987297     0.262209     0.252926    Biso  1.000000 O
   O42         1.0     0.986932     0.258831     0.500260    Biso  1.000000 O
   O43         1.0     0.009170     0.739092     0.252639    Biso  1.000000 O
   O44         1.0     0.995350     0.738643     0.500152    Biso  1.000000 O
   O45         1.0     0.012752     0.989928     0.189877    Biso  1.000000 O
   O46         1.0     0.010211     0.996163     0.435499    Biso  1.000000 O
   O47         1.0     0.003863     0.989815     0.314509    Biso  1.000000 O
   O48         1.0     0.010156     0.987269     0.560132    Biso  1.000000 O
   O49         1.0     0.538507     0.732083     0.127689    Biso  1.000000 O
   O50         1.0     0.498269     0.741682     0.377503    Biso  1.000000 O
   O51         1.0     0.509637     0.734300     0.625334    Biso  1.000000 O
   O52         1.0     0.477765     0.241780     0.123797    Biso  1.000000 O
   O53         1.0     0.495905     0.261280     0.376796    Biso  1.000000 O
   O54         1.0     0.486335     0.244800     0.624705    Biso  1.000000 O
   O55         1.0     0.745813     0.247949     0.187234    Biso  1.000000 O
   O56         1.0     0.757550     0.257767     0.439612    Biso  1.000000 O
   O57         1.0     0.239958     0.740516     0.312200    Biso  1.000000 O
   O58         1.0     0.229328     0.727271     0.567379    Biso  1.000000 O
   O59         1.0     0.265767     0.490460     0.124669    Biso  1.000000 O
   O60         1.0     0.258336     0.501764     0.372499    Biso  1.000000 O
   O61         1.0     0.267978     0.461552     0.622311    Biso  1.000000 O
   O62         1.0     0.755263     0.513714     0.125297    Biso  1.000000 O
   O63         1.0     0.738744     0.504110     0.373206    Biso  1.000000 O
   O64         1.0     0.758293     0.522274     0.626227    Biso  1.000000 O
   O65         1.0     0.741194     0.013098     0.249747    Biso  1.000000 O
   O66         1.0     0.737841     0.012743     0.497082    Biso  1.000000 O
   O67         1.0     0.261389     0.004717     0.249856    Biso  1.000000 O
   O68         1.0     0.260959     0.990862     0.497370    Biso  1.000000 O
   O69         1.0     0.762104     0.757353     0.311314    Biso  1.000000 O
   O70         1.0     0.758533     0.741095     0.561427    Biso  1.000000 O
   O71         1.0     0.258911     0.241551     0.188584    Biso  1.000000 O
   O72         1.0     0.242673     0.237923     0.438690    Biso  1.000000 O
   Fe1         1.0     0.122940     0.132165     0.281950    Biso  1.000000 Fe
   Fe2         1.0     0.125778     0.123448     0.528294    Biso  1.000000 Fe
   Fe3         1.0     0.876600     0.874261     0.221709    Biso  1.000000 Fe
   Fe4         1.0     0.867873     0.877085     0.468061    Biso  1.000000 Fe
   Fe5         1.0     0.616337     0.117689     0.153819    Biso  1.000000 Fe
   Fe6         1.0     0.626087     0.127285     0.408228    Biso  1.000000 Fe
   Fe7         1.0     0.369725     0.870785     0.344400    Biso  1.000000 Fe
   Fe8         1.0     0.365835     0.861664     0.597729    Biso  1.000000 Fe
   Fe9         1.0     0.138376     0.634256     0.152271    Biso  1.000000 Fe
   Fe10        1.0     0.129238     0.630312     0.405606    Biso  1.000000 Fe
   Fe11        1.0     0.872743     0.373943     0.341778    Biso  1.000000 Fe
   Fe12        1.0     0.882380     0.383718     0.596200    Biso  1.000000 Fe
   Fe13        1.0     0.629448     0.622933     0.280960    Biso  1.000000 Fe
   Fe14        1.0     0.625306     0.624361     0.528880    Biso  1.000000 Fe
   Fe15        1.0     0.375676     0.374762     0.221128    Biso  1.000000 Fe
   Fe16        1.0     0.377106     0.370583     0.469041    Biso  1.000000 Fe
   Fe17        1.0     0.516189     0.480846     0.128991    Biso  1.000000 Fe
   Fe18        1.0     0.500000     0.500000     0.375000    Biso  1.000000 Fe
   Fe19        1.0     0.519243     0.483863     0.621008    Biso  1.000000 Fe
   Fe20        1.0     0.252030     0.750803     0.248735    Biso  1.000000 Fe
   Fe21        1.0     0.249254     0.748000     0.501270    Biso  1.000000 Fe
   Fe22        1.0     0.755002     0.256249     0.245324    Biso  1.000000 Fe
   Fe23        1.0     0.743771     0.245026     0.504687    Biso  1.000000 Fe
   Fe24        1.0     0.747758     0.002649     0.312735    Biso  1.000000 Fe
   Fe25        1.0     0.241240     0.013688     0.192473    Biso  1.000000 Fe
   Fe26        1.0     0.250539    -0.000246     0.437206    Biso  1.000000 Fe
   Fe27        1.0     0.997373     0.252270     0.437270    Biso  1.000000 Fe
   Fe28        1.0     0.000275     0.749509     0.312801    Biso  1.000000 Fe
   Fe29        1.0     0.986396     0.758788     0.557533    Biso  1.000000 Fe
   Fe30        1.0     0.505601     0.004218     0.252071    Biso  1.000000 Fe
   Fe31        1.0     0.505688     0.003238     0.504476    Biso  1.000000 Fe
   Fe32        1.0     0.245649     0.266581     0.132032    Biso  1.000000 Fe
   Fe33        1.0     0.250120     0.250604     0.375606    Biso  1.000000 Fe
   Fe34        1.0     0.257772     0.228030     0.617603    Biso  1.000000 Fe
   Fe35        1.0     0.772022     0.742290     0.132403    Biso  1.000000 Fe
   Fe36        1.0     0.749412     0.749891     0.374399    Biso  1.000000 Fe
   Fe37        1.0     0.733517     0.754415     0.617979    Biso  1.000000 Fe
   Fe38        1.0     0.751473     0.498157     0.436950    Biso  1.000000 Fe
   Fe39        1.0     0.248951     0.500856     0.312275    Biso  1.000000 Fe
   Fe40        1.0     0.269635     0.482418     0.559793    Biso  1.000000 Fe
   Fe41        1.0     0.996792     0.494353     0.245529    Biso  1.000000 Fe
   Fe42        1.0     0.995813     0.494417     0.497935    Biso  1.000000 Fe
   Fe43        1.0     0.501863     0.248559     0.313055    Biso  1.000000 Fe
   Fe44        1.0     0.517605     0.730407     0.190210    Biso  1.000000 Fe
   Fe45        1.0     0.499184     0.751072     0.437729    Biso  1.000000 Fe
   Fe46        1.0     0.985853     0.011933     0.133444    Biso  1.000000 Fe
   Fe47        1.0    -0.003875     0.003896     0.375006    Biso  1.000000 Fe
   Fe48        1.0     0.988174     0.014191     0.616561    Biso  1.000000 Fe
   Fe49        1.0     0.621382     0.120802     0.594484    Biso  1.000000 Fe
   Fe50        1.0     0.879267     0.378703     0.155526    Biso  1.000000 Fe
   Fe51        1.0     0.119822     0.619767     0.625419    Biso  1.000000 Fe
   Fe52        1.0     0.380264     0.880242     0.124588    Biso  1.000000 Fe
