# generated using pymatgen
data_FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12546520
_cell_length_b   5.90587102
_cell_length_c   52.51767549
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP
_chemical_formula_sum   'Fe16 P16'
_cell_volume   969.402466307
_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  0.252160  0.708438  0.386769  1
  Fe  Fe2  1  0.752160  0.263526  0.280791  1
  Fe  Fe3  1  0.752160  0.199474  0.332719  1
  Fe  Fe4  1  0.252160  0.801054  0.331806  1
  Fe  Fe5  1  0.252160  0.708334  0.497906  1
  Fe  Fe6  1  0.752160  0.292674  0.389012  1
  Fe  Fe7  1  0.752160  0.208399  0.444575  1
  Fe  Fe8  1  0.252160  0.792027  0.442341  1
  Fe  Fe9  1  0.252160  0.707726  0.609026  1
  Fe  Fe10  1  0.752160  0.292066  0.500131  1
  Fe  Fe11  1  0.752160  0.208373  0.555697  1
  Fe  Fe12  1  0.252160  0.792001  0.553462  1
  Fe  Fe13  1  0.252160  0.736874  0.717247  1
  Fe  Fe14  1  0.752160  0.291961  0.611269  1
  Fe  Fe15  1  0.752160  0.199346  0.666231  1
  Fe  Fe16  1  0.252160  0.800926  0.665319  1
  P  P17  1  0.252160  0.078552  0.362320  1
  P  P18  1  0.752160  0.912172  0.299544  1
  P  P19  1  0.752160  0.575647  0.357803  1
  P  P20  1  0.252160  0.426480  0.306647  1
  P  P21  1  0.252160  0.077757  0.473311  1
  P  P22  1  0.752160  0.922597  0.413628  1
  P  P23  1  0.752160  0.577752  0.469164  1
  P  P24  1  0.252160  0.422734  0.417732  1
  P  P25  1  0.252160  0.077803  0.584410  1
  P  P26  1  0.752160  0.922643  0.524727  1
  P  P27  1  0.752160  0.577666  0.580306  1
  P  P28  1  0.252160  0.422648  0.528874  1
  P  P29  1  0.252160  0.088228  0.698494  1
  P  P30  1  0.752160  0.921848  0.635718  1
  P  P31  1  0.752160  0.573920  0.691390  1
  P  P32  1  0.252160  0.424753  0.640234  1
