# generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67116392
_cell_length_b   5.90642884
_cell_length_c   48.57463443
_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   'Fe14 P28'
_cell_volume   1627.07179693
_cell_formula_units_Z   14
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  0.002302  0.004939  0.282676  1
  Fe  Fe2  1  0.502302  0.504939  0.313974  1
  Fe  Fe3  1  0.002302  0.004939  0.341048  1
  Fe  Fe4  1  0.502302  0.504939  0.376632  1
  Fe  Fe5  1  0.002302  0.004939  0.413022  1
  Fe  Fe6  1  0.502302  0.504939  0.439063  1
  Fe  Fe7  1  0.002302  0.004939  0.474012  1
  Fe  Fe8  1  0.502302  0.504939  0.513431  1
  Fe  Fe9  1  0.002302  0.004939  0.548380  1
  Fe  Fe10  1  0.502302  0.504939  0.574421  1
  Fe  Fe11  1  0.002302  0.004939  0.610811  1
  Fe  Fe12  1  0.502302  0.504939  0.646394  1
  Fe  Fe13  1  0.002302  0.004939  0.673469  1
  Fe  Fe14  1  0.502302  0.504939  0.704767  1
  P  P15  1  0.762190  0.343508  0.275877  1
  P  P16  1  0.242414  0.666370  0.275877  1
  P  P17  1  0.729650  0.839586  0.309109  1
  P  P18  1  0.274954  0.170292  0.309109  1
  P  P19  1  0.772603  0.345281  0.343628  1
  P  P20  1  0.232002  0.664597  0.343628  1
  P  P21  1  0.738582  0.850302  0.376492  1
  P  P22  1  0.266023  0.159576  0.376492  1
  P  P23  1  0.773812  0.343292  0.409461  1
  P  P24  1  0.230793  0.666586  0.409461  1
  P  P25  1  0.729619  0.841262  0.443526  1
  P  P26  1  0.274986  0.168616  0.443526  1
  P  P27  1  0.762980  0.349094  0.476866  1
  P  P28  1  0.241625  0.660785  0.476866  1
  P  P29  1  0.741625  0.849094  0.510577  1
  P  P30  1  0.262980  0.160785  0.510577  1
  P  P31  1  0.774986  0.341262  0.543917  1
  P  P32  1  0.229619  0.668616  0.543917  1
  P  P33  1  0.730793  0.843292  0.577981  1
  P  P34  1  0.273812  0.166586  0.577981  1
  P  P35  1  0.766023  0.350302  0.610951  1
  P  P36  1  0.238582  0.659576  0.610951  1
  P  P37  1  0.732002  0.845281  0.643815  1
  P  P38  1  0.272603  0.164597  0.643815  1
  P  P39  1  0.774954  0.339586  0.678334  1
  P  P40  1  0.229650  0.670292  0.678334  1
  P  P41  1  0.742414  0.843508  0.711566  1
  P  P42  1  0.262190  0.166370  0.711566  1
