# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19170049
_cell_length_b   12.81003028
_cell_length_c   47.51736422
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe16 P32'
_cell_volume   1942.78449488
_cell_formula_units_Z   16
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  1.000931  0.553576  0.287422  1
  Fe  Fe2  1  1.000931  0.152928  0.338104  1
  Fe  Fe3  1  0.500931  0.850507  0.316205  1
  Fe  Fe4  1  0.500931  0.461279  0.364964  1
  Fe  Fe5  1  1.000931  0.761609  0.395092  1
  Fe  Fe6  1  1.000931  0.372050  0.448477  1
  Fe  Fe7  1  0.500931  0.067145  0.421253  1
  Fe  Fe8  1  0.500931  0.674187  0.477732  1
  Fe  Fe9  1  1.000931  0.978285  0.504949  1
  Fe  Fe10  1  1.000931  0.585055  0.561708  1
  Fe  Fe11  1  0.500931  0.282720  0.532116  1
  Fe  Fe12  1  0.500931  0.889881  0.588712  1
  Fe  Fe13  1  1.000931  0.194770  0.614745  1
  Fe  Fe14  1  1.000931  0.805708  0.671965  1
  Fe  Fe15  1  0.500931  0.497207  0.646627  1
  Fe  Fe16  1  0.500931  0.111266  0.693940  1
  P  P17  1  1.000931  0.988840  0.311797  1
  P  P18  1  1.000931  0.603237  0.367246  1
  P  P19  1  1.000931  0.717429  0.304779  1
  P  P20  1  1.000931  0.318421  0.362270  1
  P  P21  1  0.500931  0.082900  0.370564  1
  P  P22  1  0.500931  0.474365  0.314525  1
  P  P23  1  0.500931  0.834560  0.362800  1
  P  P24  1  0.500931  0.220928  0.304757  1
  P  P25  1  1.000931  0.207681  0.423943  1
  P  P26  1  1.000931  0.814141  0.480322  1
  P  P27  1  1.000931  0.926954  0.419492  1
  P  P28  1  1.000931  0.533675  0.474276  1
  P  P29  1  0.500931  0.300696  0.481754  1
  P  P30  1  0.500931  0.690225  0.426937  1
  P  P31  1  0.500931  0.050346  0.472107  1
  P  P32  1  0.500931  0.443032  0.415461  1
  P  P33  1  1.000931  0.423550  0.535946  1
  P  P34  1  1.000931  0.029913  0.590421  1
  P  P35  1  1.000931  0.142518  0.529552  1
  P  P36  1  1.000931  0.749540  0.586151  1
  P  P37  1  0.500931  0.514734  0.595015  1
  P  P38  1  0.500931  0.906463  0.537823  1
  P  P39  1  0.500931  0.266287  0.582775  1
  P  P40  1  0.500931  0.656401  0.528326  1
  P  P41  1  1.000931  0.639461  0.647962  1
  P  P42  1  1.000931  0.241885  0.704399  1
  P  P43  1  1.000931  0.354303  0.641889  1
  P  P44  1  1.000931  0.970531  0.698117  1
  P  P45  1  0.500931  0.736398  0.705002  1
  P  P46  1  0.500931  0.123176  0.647164  1
  P  P47  1  0.500931  0.479225  0.694782  1
  P  P48  1  0.500931  0.875022  0.639468  1
