# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94273924
_cell_length_b   6.35120542
_cell_length_c   48.94644473
_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   1847.41295976
_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  0.956116  0.857941  0.266125  1
  Fe  Fe2  1  0.547592  0.357941  0.266125  1
  Fe  Fe3  1  0.002576  0.661023  0.313630  1
  Fe  Fe4  1  0.501132  0.161023  0.313630  1
  Fe  Fe5  1  1.000412  0.417696  0.379741  1
  Fe  Fe6  1  0.503296  0.917696  0.379741  1
  Fe  Fe7  1  0.004889  0.193938  0.432440  1
  Fe  Fe8  1  0.498819  0.693938  0.432440  1
  Fe  Fe9  1  1.000213  0.934044  0.497019  1
  Fe  Fe10  1  0.503495  0.434044  0.497019  1
  Fe  Fe11  1  0.003592  0.712508  0.550218  1
  Fe  Fe12  1  0.500116  0.212508  0.550218  1
  Fe  Fe13  1  0.998187  0.449313  0.614891  1
  Fe  Fe14  1  0.505521  0.949313  0.614891  1
  Fe  Fe15  1  0.004988  0.230680  0.668682  1
  Fe  Fe16  1  0.498720  0.730680  0.668682  1
  P  P17  1  0.601647  0.986842  0.268471  1
  P  P18  1  0.374451  0.516217  0.301143  1
  P  P19  1  0.129257  0.016217  0.301143  1
  P  P20  1  0.902061  0.486842  0.268471  1
  P  P21  1  0.664516  0.848969  0.333511  1
  P  P22  1  0.337924  0.242564  0.359974  1
  P  P23  1  0.165784  0.742564  0.359974  1
  P  P24  1  0.839192  0.348969  0.333511  1
  P  P25  1  0.651038  0.583577  0.390626  1
  P  P26  1  0.350874  0.024842  0.420925  1
  P  P27  1  0.152834  0.524842  0.420925  1
  P  P28  1  0.852670  0.083577  0.390626  1
  P  P29  1  0.663495  0.366503  0.450441  1
  P  P30  1  0.340458  0.762614  0.479025  1
  P  P31  1  0.163250  0.262614  0.479025  1
  P  P32  1  0.840213  0.866503  0.450441  1
  P  P33  1  0.655014  0.106090  0.508290  1
  P  P34  1  0.348622  0.540107  0.538966  1
  P  P35  1  0.155086  0.040107  0.538966  1
  P  P36  1  0.848694  0.606090  0.508290  1
  P  P37  1  0.663074  0.883593  0.568202  1
  P  P38  1  0.340997  0.279370  0.596876  1
  P  P39  1  0.162711  0.779370  0.596876  1
  P  P40  1  0.840634  0.383593  0.568202  1
  P  P41  1  0.653801  0.622302  0.626450  1
  P  P42  1  0.351066  0.057652  0.656321  1
  P  P43  1  0.152642  0.557652  0.656321  1
  P  P44  1  0.849907  0.122302  0.626450  1
  P  P45  1  0.659981  0.400672  0.686272  1
  P  P46  1  0.347816  0.796751  0.713592  1
  P  P47  1  0.155892  0.296751  0.713592  1
  P  P48  1  0.843727  0.900672  0.686272  1
