data_PPt2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.27
_cell_angle_alpha   114.18
_cell_angle_beta   114.18
_cell_angle_gamma   42.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPt2Rh
_chemical_formula_sum   'P1 Pt2 Rh1'
_cell_volume   61.64
_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
  P  P0  1  0.73  0.0  0.97  1.0
  Pt  Pt1  1  0.4  0.0  0.64  1.0
  Pt  Pt2  1  0.43  0.0  0.28  1.0
  Rh  Rh3  1  0.13  0.0  0.95  1.0

data_PPt2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.39
_cell_length_c   5.27
_cell_angle_alpha   114.18
_cell_angle_beta   90.0
_cell_angle_gamma   111.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PPt2Rh
_chemical_formula_sum   'P1 Pt2 Rh1'
_cell_volume   61.64
_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
  P  P0  1  0.0  0.27  0.03  1.0
  Pt  Pt1  1  0.0  0.57  0.72  1.0
  Pt  Pt2  1  0.0  0.6  0.36  1.0
  Rh  Rh3  1  0.0  0.87  0.05  1.0

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