# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30422939
_cell_length_b   6.64267209
_cell_length_c   63.51078087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   101.49098154
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe12 P48'
_cell_volume   2606.32687984
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe1  1  0.902229  0.175639  0.352188  1
  Fe  Fe2  1  0.344044  0.260026  0.477492  1
  Fe  Fe3  1  0.338800  0.795345  0.274392  1
  Fe  Fe4  1  0.896072  0.659655  0.399275  1
  Fe  Fe5  1  0.121645  0.445669  0.316576  1
  Fe  Fe6  1  0.133400  0.987344  0.440741  1
  Fe  Fe7  1  0.896072  0.159655  0.604146  1
  Fe  Fe8  1  0.338800  0.295345  0.729029  1
  Fe  Fe9  1  0.344044  0.760026  0.525929  1
  Fe  Fe10  1  0.902229  0.675639  0.651233  1
  Fe  Fe11  1  0.133400  0.487344  0.562680  1
  Fe  Fe12  1  0.121645  0.945669  0.686845  1
  P  P13  1  0.584216  0.091344  0.376512  1
  P  P14  1  0.666884  0.345540  0.501440  1
  P  P15  1  0.673605  0.849284  0.255276  1
  P  P16  1  0.578099  0.590055  0.376717  1
  P  P17  1  0.048412  0.433247  0.376671  1
  P  P18  1  0.213093  0.995737  0.249845  1
  P  P19  1  0.981376  0.210852  0.462669  1
  P  P20  1  0.268496  0.224622  0.337803  1
  P  P21  1  0.261260  0.734803  0.416287  1
  P  P22  1  0.995968  0.694330  0.290852  1
  P  P23  1  0.782534  0.902869  0.420550  1
  P  P24  1  0.458940  0.530852  0.293917  1
  P  P25  1  0.477247  0.029844  0.457788  1
  P  P26  1  0.769969  0.404701  0.332022  1
  P  P27  1  0.987620  0.710339  0.461999  1
  P  P28  1  0.265244  0.724510  0.336833  1
  P  P29  1  0.261885  0.233591  0.416224  1
  P  P30  1  0.992496  0.198541  0.290715  1
  P  P31  1  0.787033  0.895681  0.331844  1
  P  P32  1  0.468009  0.537714  0.457214  1
  P  P33  1  0.467933  0.042335  0.297131  1
  P  P34  1  0.781352  0.395289  0.421093  1
  P  P35  1  0.049636  0.933703  0.376357  1
  P  P36  1  0.200439  0.502791  0.501391  1
  P  P37  1  0.578099  0.090055  0.626704  1
  P  P38  1  0.673605  0.349284  0.748145  1
  P  P39  1  0.666884  0.845540  0.501981  1
  P  P40  1  0.584216  0.591344  0.626909  1
  P  P41  1  0.049636  0.433703  0.627063  1
  P  P42  1  0.200439  0.002791  0.502030  1
  P  P43  1  0.995968  0.194330  0.712569  1
  P  P44  1  0.261260  0.234803  0.587134  1
  P  P45  1  0.268496  0.724622  0.665617  1
  P  P46  1  0.981376  0.710852  0.540752  1
  P  P47  1  0.769969  0.904701  0.671399  1
  P  P48  1  0.477247  0.529844  0.545633  1
  P  P49  1  0.458940  0.030852  0.709503  1
  P  P50  1  0.782534  0.402869  0.582871  1
  P  P51  1  0.992496  0.698541  0.712706  1
  P  P52  1  0.261885  0.733591  0.587197  1
  P  P53  1  0.265244  0.224510  0.666588  1
  P  P54  1  0.987620  0.210339  0.541422  1
  P  P55  1  0.781352  0.895289  0.582328  1
  P  P56  1  0.467933  0.542335  0.706290  1
  P  P57  1  0.468009  0.037714  0.546206  1
  P  P58  1  0.787033  0.395681  0.671577  1
  P  P59  1  0.048412  0.933247  0.626750  1
  P  P60  1  0.213093  0.495737  0.753576  1
