data_PIrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   31.03
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PIrRh2
_chemical_formula_sum   'P1 Ir1 Rh2'
_cell_volume   55.94
_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  P1  1  0.0  0.0  0.84  1.0
  Ir  Ir0  1  0.84  0.0  0.34  1.0
  Rh  Rh2  1  0.84  0.0  0.44  1.0
  Rh  Rh3  1  0.0  0.0  0.19  1.0

data_PIrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.68
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   105.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PIrRh2
_chemical_formula_sum   'P1 Ir1 Rh2'
_cell_volume   55.94
_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  0.16  0.0  0.16  1.0
  Ir  Ir1  1  0.66  0.84  0.66  1.0
  Rh  Rh2  1  0.56  0.84  0.56  1.0
  Rh  Rh3  1  0.81  0.0  0.81  1.0

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