data_IrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrRh2
_chemical_formula_sum   'Ir2 Rh4'
_cell_volume   86.01
_cell_formula_units_Z   2
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  0.37  0.51  0.11  1.0
  Ir  Ir1  1  0.37  0.49  0.32  1.0
  Rh  Rh2  1  0.37  0.78  0.11  1.0
  Rh  Rh3  1  0.37  0.93  0.32  1.0
  Rh  Rh4  1  0.37  0.07  0.11  1.0
  Rh  Rh5  1  0.37  0.22  0.32  1.0

data_IrRh2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.74
_cell_length_b   4.43
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   100.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   IrRh2
_chemical_formula_sum   'Ir2 Rh4'
_cell_volume   86.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.49  0.39  0.99  1.0
  Rh  Rh1  2  0.07  0.61  0.57  1.0
  Rh  Rh2  2  0.22  0.39  0.72  1.0

Ir Ir Rh Rh Rh Rh