data_IrRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   149.86
_cell_angle_beta   127.71
_cell_angle_gamma   61.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRh2Cl
_chemical_formula_sum   'Ir1 Rh2 Cl1'
_cell_volume   59.72
_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  Ir1  1  0.0  0.35  0.24  1.0
  Rh  Rh2  1  0.0  0.0  0.1  1.0
  Rh  Rh3  1  0.39  0.0  0.35  1.0
  Cl  Cl0  1  0.0  0.0  0.64  1.0

data_IrRh2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.7
_cell_length_c   5.33
_cell_angle_alpha   116.15
_cell_angle_beta   105.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRh2Cl
_chemical_formula_sum   'Ir1 Rh2 Cl1'
_cell_volume   59.72
_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  0.65  0.89  0.89  1.0
  Rh  Rh1  1  0.0  0.1  0.1  1.0
  Rh  Rh2  1  0.0  0.35  0.96  1.0
  Cl  Cl3  1  0.0  0.64  0.64  1.0

Ir Rh Rh Cl