data_PIr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.57
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PIr2Rh
_chemical_formula_sum   'P1 Ir2 Rh1'
_cell_volume   57.52
_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  P2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.37  0.29  0.0  1.0
  Ir  Ir1  1  0.0  0.29  0.29  1.0
  Rh  Rh3  1  0.37  0.0  0.29  1.0

data_PIr2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.57
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PIr2Rh
_chemical_formula_sum   'P1 Ir2 Rh1'
_cell_volume   57.52
_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  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.29  0.29  1.0
  Ir  Ir2  1  0.37  0.29  0.0  1.0
  Rh  Rh3  1  0.37  0.0  0.29  1.0

P Ir Ir Rh
P Ir Ir Rh 0 3 o o o 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 