# generated using pymatgen
data_FeP4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81486196
_cell_length_b   9.65038855
_cell_length_c   47.55121897
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP4
_chemical_formula_sum   'Fe12 P48'
_cell_volume   3127.25659726
_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  0.000138  0.127582  0.320279  1
  Fe  Fe2  1  0.500138  0.381603  0.391151  1
  Fe  Fe3  1  0.500138  0.627582  0.320279  1
  Fe  Fe4  1  0.000138  0.881603  0.391151  1
  Fe  Fe5  1  0.000138  0.125639  0.462937  1
  Fe  Fe6  1  0.500138  0.381921  0.534377  1
  Fe  Fe7  1  0.500138  0.625639  0.462937  1
  Fe  Fe8  1  0.000138  0.881921  0.534377  1
  Fe  Fe9  1  0.000138  0.125958  0.606162  1
  Fe  Fe10  1  0.500138  0.379978  0.677035  1
  Fe  Fe11  1  0.500138  0.625958  0.606162  1
  Fe  Fe12  1  0.000138  0.879978  0.677035  1
  P  P13  1  0.500138  0.757176  0.357651  1
  P  P14  1  0.744715  0.991045  0.319563  1
  P  P15  1  0.500138  0.247623  0.287505  1
  P  P16  1  0.743727  0.015716  0.391334  1
  P  P17  1  0.500138  0.250265  0.353655  1
  P  P18  1  0.500138  0.756511  0.425417  1
  P  P19  1  0.256550  0.015716  0.391334  1
  P  P20  1  0.255562  0.991045  0.319563  1
  P  P21  1  0.000138  0.257176  0.357651  1
  P  P22  1  0.244715  0.491045  0.319563  1
  P  P23  1  1.000138  0.747623  0.287505  1
  P  P24  1  0.243727  0.515716  0.391334  1
  P  P25  1  1.000138  0.750265  0.353655  1
  P  P26  1  0.000138  0.256511  0.425417  1
  P  P27  1  0.756550  0.515716  0.391334  1
  P  P28  1  0.755562  0.491045  0.319563  1
  P  P29  1  0.500138  0.756681  0.500455  1
  P  P30  1  0.743562  0.991742  0.462861  1
  P  P31  1  0.500138  0.251119  0.428780  1
  P  P32  1  0.743562  0.015818  0.534453  1
  P  P33  1  0.500138  0.250879  0.496859  1
  P  P34  1  0.500138  0.756442  0.568533  1
  P  P35  1  0.256715  0.015818  0.534453  1
  P  P36  1  0.256715  0.991742  0.462861  1
  P  P37  1  0.000138  0.256681  0.500455  1
  P  P38  1  0.243562  0.491742  0.462861  1
  P  P39  1  0.000138  0.751119  0.428780  1
  P  P40  1  0.243562  0.515818  0.534453  1
  P  P41  1  1.000138  0.750879  0.496859  1
  P  P42  1  0.000138  0.256442  0.568533  1
  P  P43  1  0.756715  0.515818  0.534453  1
  P  P44  1  0.756715  0.491742  0.462861  1
  P  P45  1  0.500138  0.757296  0.643658  1
  P  P46  1  0.743727  0.991844  0.605980  1
  P  P47  1  0.500138  0.251050  0.571896  1
  P  P48  1  0.744715  0.016515  0.677750  1
  P  P49  1  0.500138  0.250385  0.639663  1
  P  P50  1  0.500138  0.759937  0.709809  1
  P  P51  1  0.255562  0.016515  0.677750  1
  P  P52  1  0.256550  0.991844  0.605980  1
  P  P53  1  0.000138  0.257296  0.643658  1
  P  P54  1  0.243727  0.491844  0.605980  1
  P  P55  1  0.000138  0.751050  0.571896  1
  P  P56  1  0.244715  0.516515  0.677750  1
  P  P57  1  0.000138  0.750385  0.639663  1
  P  P58  1  0.000138  0.259937  0.709809  1
  P  P59  1  0.755562  0.516515  0.677750  1
  P  P60  1  0.756550  0.491844  0.605980  1
