data_Pt2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   105.1
_cell_angle_beta   105.1
_cell_angle_gamma   118.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2Rh
_chemical_formula_sum   'Pt4 Rh2'
_cell_volume   97.07
_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
  Pt  Pt0  1  0.16  0.91  0.0  1.0
  Pt  Pt1  1  0.16  0.09  0.58  1.0
  Pt  Pt2  1  0.91  0.98  0.0  1.0
  Pt  Pt3  1  0.91  0.16  0.58  1.0
  Rh  Rh4  1  0.0  0.0  0.29  1.0
  Rh  Rh5  1  0.0  0.0  0.86  1.0

data_Pt2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   105.1
_cell_angle_beta   105.1
_cell_angle_gamma   118.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt2Rh
_chemical_formula_sum   'Pt4 Rh2'
_cell_volume   97.07
_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
  Rh  Rh0  1  0.0  0.0  0.29  1.0
  Rh  Rh1  1  0.0  0.0  0.86  1.0
  Pt  Pt2  1  0.16  0.09  0.58  1.0
  Pt  Pt3  1  0.16  0.91  0.0  1.0
  Pt  Pt4  1  0.91  0.16  0.58  1.0
  Pt  Pt5  1  0.91  0.98  0.0  1.0

Pt Pt Pt Pt Rh Rh
Pt Pt Pt Pt Rh Rh 0 5 o + - 0 2 - o o 1 4 o o o 1 3 - o o 2 5 + + - 2 4 + + o 3 4 + o o 