data_FeP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeP2Pt
_chemical_formula_sum   'Fe1 P2 Pt1'
_cell_volume   58.29
_cell_formula_units_Z   1
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
  P  P1  1  0.41  0.95  0.0  1.0
  P  P2  1  0.41  0.05  0.0  1.0
  Pt  Pt3  1  0.82  0.0  0.0  1.0

data_FeP2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.82
_cell_length_b   2.64
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   FeP2Pt
_chemical_formula_sum   'Fe1 P2 Pt1'
_cell_volume   58.29
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  P  P1  1  0.41  0.0  0.05  1.0
  P  P2  1  0.41  0.0  0.95  1.0
  Pt  Pt3  1  0.82  0.0  0.0  1.0

Fe P P Pt
Fe P P Pt 0 3 - o o 1 2 o + o 