data_IrRhCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   131.74
_cell_angle_beta   131.74
_cell_angle_gamma   70.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRhCl2
_chemical_formula_sum   'Ir1 Rh1 Cl2'
_cell_volume   68.78
_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  Ir2  1  0.05  0.0  0.05  1.0
  Rh  Rh3  1  0.0  0.0  0.09  1.0
  Cl  Cl0  1  0.0  0.05  0.05  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_IrRhCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.01
_cell_angle_alpha   114.13
_cell_angle_beta   114.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRhCl2
_chemical_formula_sum   'Ir1 Rh1 Cl2'
_cell_volume   68.78
_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  0.95  0.0  0.0  1.0
  Rh  Rh1  1  0.91  0.0  0.91  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.05  0.0  1.0

Ir Rh Cl Cl
Ir Rh Cl Cl 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o o 2 3 o o o 