data_[Ir4Rh8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0511]
_cell_length_b [2.7427]
_cell_length_c [6.4710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [IrRh2]
_chemical_formula_sum '[Ir4 Rh8]'
_cell_volume [172.4626]
_cell_formula_units_Z [4]
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  4  0.0280  0.0000  0.8053  1.0
  Rh  Rh1  4  0.1369  0.5000  0.5279  1.0
  Rh  Rh2  4  0.1920  0.5000  0.1382  1.0
]