data_Ir2RhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   2.89
_cell_angle_alpha   104.4
_cell_angle_beta   104.4
_cell_angle_gamma   122.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2RhPb
_chemical_formula_sum   'Ir2 Rh1 Pb1'
_cell_volume   68.02
_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
  Ir  Ir0  1  0.62  0.51  0.24  1.0
  Ir  Ir1  1  0.62  0.49  0.24  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.74  0.0  0.0  1.0

data_Ir2RhPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.68
_cell_length_c   5.72
_cell_angle_alpha   114.0
_cell_angle_beta   104.4
_cell_angle_gamma   90.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2RhPb
_chemical_formula_sum   'Ir2 Rh1 Pb1'
_cell_volume   68.02
_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
  Ir  Ir0  1  0.73  0.49  0.11  1.0
  Ir  Ir1  1  0.75  0.51  0.13  1.0
  Rh  Rh2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  -0.0  0.0  0.74  1.0

Ir Ir Rh Pb
Ir Ir Rh Pb 0 1 o o o 2 3 - o o 