data_FeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   5.64
_cell_length_c   2.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe2 P4'
_cell_volume   76.25
_cell_formula_units_Z   2
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  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.48  0.82  0.36  1.0
  P  P2  1  0.85  0.57  0.0  1.0
  P  P3  1  0.12  0.08  0.0  1.0
  P  P4  1  0.63  0.75  0.36  1.0
  P  P5  1  0.33  0.9  0.36  1.0

data_FeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   4.96
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2
_chemical_formula_sum   'Fe2 P4'
_cell_volume   76.25
_cell_formula_units_Z   2
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  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.36  0.48  0.82  1.0
  P  P2  1  -0.0  0.85  0.57  1.0
  P  P3  1  -0.0  0.12  0.08  1.0
  P  P4  1  0.36  0.33  0.9  1.0
  P  P5  1  0.36  0.63  0.75  1.0

Fe Fe P P P P