
#======================================================================
# 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     0.258143     0.248045     0.314031    Biso  1.000000 O
   O2          1.0     0.259524     0.261076     0.566586    Biso  1.000000 O
   O3          1.0     0.740830     0.737405     0.182751    Biso  1.000000 O
   O4          1.0     0.741070     0.752233     0.436144    Biso  1.000000 O
   O5          1.0     0.489053     0.006949     0.188401    Biso  1.000000 O
   O6          1.0     0.494083     0.990684     0.439783    Biso  1.000000 O
   O7          1.0     0.505241     0.008578     0.310628    Biso  1.000000 O
   O8          1.0     0.513635     0.997469     0.561066    Biso  1.000000 O
   O9          1.0     0.991854     0.755068     0.122354    Biso  1.000000 O
   O10         1.0     0.990358     0.747619     0.375315    Biso  1.000000 O
   O11         1.0     0.017907     0.765482     0.632726    Biso  1.000000 O
   O12         1.0     0.012592     0.235016     0.116262    Biso  1.000000 O
   O13         1.0     0.009317     0.252749     0.374667    Biso  1.000000 O
   O14         1.0     0.991832     0.243042     0.627687    Biso  1.000000 O
   O15         1.0     0.754829     0.492615     0.246979    Biso  1.000000 O
   O16         1.0     0.767531     0.488492     0.502361    Biso  1.000000 O
   O17         1.0     0.232471     0.511556     0.247691    Biso  1.000000 O
   O18         1.0     0.243459     0.510135     0.502559    Biso  1.000000 O
   O19         1.0     0.003854     0.506273     0.310431    Biso  1.000000 O
   O20         1.0     0.014142     0.499752     0.561582    Biso  1.000000 O
   O21         1.0     0.988816     0.499419     0.188232    Biso  1.000000 O
   O22         1.0     0.995732     0.494419     0.439667    Biso  1.000000 O
   O23         1.0     0.513161     0.232500     0.252829    Biso  1.000000 O
   O24         1.0     0.511828     0.243073     0.499533    Biso  1.000000 O
   O25         1.0     0.487684     0.759314     0.250005    Biso  1.000000 O
   O26         1.0     0.485573     0.766803     0.498223    Biso  1.000000 O
   O27         1.0     0.264427     0.981666     0.123499    Biso  1.000000 O
   O28         1.0     0.249368     0.010286     0.376299    Biso  1.000000 O
   O29         1.0     0.266456     0.014930     0.625734    Biso  1.000000 O
   O30         1.0     0.740514     0.006225     0.124824    Biso  1.000000 O
   O31         1.0     0.750224     0.989645     0.374029    Biso  1.000000 O
   O32         1.0     0.740576     0.993756     0.626762    Biso  1.000000 O
   O33         1.0     0.258767     0.757362     0.187729    Biso  1.000000 O
   O34         1.0     0.260906     0.745658     0.438133    Biso  1.000000 O
   O35         1.0     0.739291     0.255336     0.311647    Biso  1.000000 O
   O36         1.0     0.744298     0.239655     0.562755    Biso  1.000000 O
   O37         1.0     0.492199     0.490468     0.310896    Biso  1.000000 O
   O38         1.0     0.490753     0.501741     0.567174    Biso  1.000000 O
   O39         1.0     0.510947     0.489267     0.182414    Biso  1.000000 O
   O40         1.0     0.507380     0.510581     0.439100    Biso  1.000000 O
   O41         1.0     0.988609     0.259067     0.250927    Biso  1.000000 O
   O42         1.0     0.986559     0.266426     0.500900    Biso  1.000000 O
   O43         1.0     0.013146     0.733166     0.249111    Biso  1.000000 O
   O44         1.0     0.010157     0.742642     0.498961    Biso  1.000000 O
   O45         1.0     0.009620     0.997019     0.182457    Biso  1.000000 O
   O46         1.0     0.005430     0.004423     0.437313    Biso  1.000000 O
   O47         1.0     0.994367     0.996192     0.312673    Biso  1.000000 O
   O48         1.0     0.990852     0.000435     0.567465    Biso  1.000000 O
   O49         1.0     0.512948     0.733909     0.116628    Biso  1.000000 O
   O50         1.0     0.509542     0.752554     0.378457    Biso  1.000000 O
   O51         1.0     0.491671     0.743376     0.627528    Biso  1.000000 O
   O52         1.0     0.491921     0.255252     0.117271    Biso  1.000000 O
   O53         1.0     0.490163     0.247455     0.371708    Biso  1.000000 O
   O54         1.0     0.517289     0.265951     0.633011    Biso  1.000000 O
   O55         1.0     0.757739     0.257292     0.188523    Biso  1.000000 O
   O56         1.0     0.747579     0.246485     0.437656    Biso  1.000000 O
   O57         1.0     0.252073     0.753901     0.312282    Biso  1.000000 O
   O58         1.0     0.245352     0.740176     0.561762    Biso  1.000000 O
   O59         1.0     0.241362     0.506142     0.124854    Biso  1.000000 O
   O60         1.0     0.256970     0.488144     0.374251    Biso  1.000000 O
   O61         1.0     0.240487     0.493842     0.626711    Biso  1.000000 O
   O62         1.0     0.765413     0.482895     0.123735    Biso  1.000000 O
   O63         1.0     0.742797     0.512015     0.375901    Biso  1.000000 O
   O64         1.0     0.766375     0.515085     0.625739    Biso  1.000000 O
   O65         1.0     0.732063     0.011802     0.247595    Biso  1.000000 O
   O66         1.0     0.743798     0.010006     0.502394    Biso  1.000000 O
   O67         1.0     0.254206     0.991912     0.247346    Biso  1.000000 O
   O68         1.0     0.267114     0.988853     0.502414    Biso  1.000000 O
   O69         1.0     0.745443     0.748957     0.314500    Biso  1.000000 O
   O70         1.0     0.757866     0.761509     0.566218    Biso  1.000000 O
   O71         1.0     0.243998     0.235668     0.182408    Biso  1.000000 O
   O72         1.0     0.253879     0.250862     0.435491    Biso  1.000000 O
   Fe1         1.0     0.125069     0.124422     0.280913    Biso  1.000000 Fe
   Fe2         1.0     0.874442     0.876174     0.468963    Biso  1.000000 Fe
   Fe3         1.0     0.619559     0.119500     0.404924    Biso  1.000000 Fe
   Fe4         1.0     0.379535     0.880026     0.345394    Biso  1.000000 Fe
   Fe5         1.0     0.125730     0.619008     0.405525    Biso  1.000000 Fe
   Fe6         1.0     0.873660     0.381037     0.344514    Biso  1.000000 Fe
   Fe7         1.0     0.623040     0.623991     0.280327    Biso  1.000000 Fe
   Fe8         1.0     0.376505     0.376498     0.469470    Biso  1.000000 Fe
   Fe9         1.0     0.502667     0.494167     0.119430    Biso  1.000000 Fe
   Fe10        1.0     0.500000     0.500000     0.375000    Biso  1.000000 Fe
   Fe11        1.0     0.505127     0.504083     0.629364    Biso  1.000000 Fe
   Fe12        1.0     0.247496     0.745281     0.254480    Biso  1.000000 Fe
   Fe13        1.0     0.247008     0.755649     0.496559    Biso  1.000000 Fe
   Fe14        1.0     0.749446     0.245487     0.252724    Biso  1.000000 Fe
   Fe15        1.0     0.753292     0.254624     0.495465    Biso  1.000000 Fe
   Fe16        1.0     0.753686     0.001077     0.310742    Biso  1.000000 Fe
   Fe17        1.0     0.240846     0.999294     0.187330    Biso  1.000000 Fe
   Fe18        1.0     0.245936    -0.000514     0.439636    Biso  1.000000 Fe
   Fe19        1.0     0.001873     0.247420     0.437821    Biso  1.000000 Fe
   Fe20        1.0     0.997424     0.753544     0.312162    Biso  1.000000 Fe
   Fe21        1.0     0.997791     0.753300     0.562606    Biso  1.000000 Fe
   Fe22        1.0     0.497337     0.995779     0.251858    Biso  1.000000 Fe
   Fe23        1.0     0.501989     0.006775     0.498805    Biso  1.000000 Fe
   Fe24        1.0     0.253584     0.244837     0.119625    Biso  1.000000 Fe
   Fe25        1.0     0.245077     0.246923     0.376067    Biso  1.000000 Fe
   Fe26        1.0     0.254766     0.254316     0.629380    Biso  1.000000 Fe
   Fe27        1.0     0.752194     0.745222     0.120039    Biso  1.000000 Fe
   Fe28        1.0     0.754434     0.753112     0.373897    Biso  1.000000 Fe
   Fe29        1.0     0.754069     0.754266     0.629064    Biso  1.000000 Fe
   Fe30        1.0     0.746299     0.504160     0.187058    Biso  1.000000 Fe
   Fe31        1.0     0.748922     0.498222     0.439252    Biso  1.000000 Fe
   Fe32        1.0     0.250805     0.502081     0.311012    Biso  1.000000 Fe
   Fe33        1.0     0.997675     0.497346     0.251606    Biso  1.000000 Fe
   Fe34        1.0     0.002429     0.502583     0.498830    Biso  1.000000 Fe
   Fe35        1.0     0.495344     0.254478     0.312159    Biso  1.000000 Fe
   Fe36        1.0     0.499483     0.253599     0.562453    Biso  1.000000 Fe
   Fe37        1.0     0.504852     0.746003     0.438105    Biso  1.000000 Fe
   Fe38        1.0     0.002203     0.996472     0.120062    Biso  1.000000 Fe
   Fe39        1.0    -0.000196     0.000260     0.375048    Biso  1.000000 Fe
   Fe40        1.0     0.005198     0.003379     0.629653    Biso  1.000000 Fe
   Fe41        1.0     0.244805     0.006895     0.561387    Biso  1.000000 Fe
   Fe42        1.0     0.744957     0.506045     0.561204    Biso  1.000000 Fe
   Fe43        1.0     0.994516     0.753511     0.189939    Biso  1.000000 Fe
   Fe44        1.0     0.494522     0.252932     0.190099    Biso  1.000000 Fe
   Fe45        1.0     0.254774     0.754656     0.627337    Biso  1.000000 Fe
   Fe46        1.0     0.503338     0.005620     0.626853    Biso  1.000000 Fe
   Fe47        1.0     0.754034     0.254768     0.627877    Biso  1.000000 Fe
   Fe48        1.0     0.003174     0.505881     0.627084    Biso  1.000000 Fe
   Fe49        1.0     0.004232     0.492216     0.122474    Biso  1.000000 Fe
   Fe50        1.0     0.253949     0.743343     0.122515    Biso  1.000000 Fe
   Fe51        1.0     0.502753     0.994799     0.122269    Biso  1.000000 Fe
   Fe52        1.0     0.750449     0.244327     0.122418    Biso  1.000000 Fe
   Fe53        1.0     0.508415     0.743561     0.557472    Biso  1.000000 Fe
   Fe54        1.0     0.007550     0.244233     0.559304    Biso  1.000000 Fe
   Fe55        1.0     0.257676     0.489299     0.190023    Biso  1.000000 Fe
   Fe56        1.0     0.757477     0.990689     0.189819    Biso  1.000000 Fe
   Fe57        1.0     0.259284     0.494958     0.562572    Biso  1.000000 Fe
   Fe58        1.0     0.759930     0.996557     0.562566    Biso  1.000000 Fe
   Fe59        1.0     0.502837     0.743117     0.186901    Biso  1.000000 Fe
   Fe60        1.0     0.004896     0.244282     0.187058    Biso  1.000000 Fe
