data_[Ir12Ru8Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [4.7126]
_cell_length_b [8.1633]
_cell_length_c [9.0343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0225]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ir3Ru2Rh]
_chemical_formula_sum '[Ir12 Ru8 Rh4]'
_cell_volume [342.2460]
_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  8  0.2470  0.0852  0.0002  1
  Ir  Ir1  4  0.0000  0.0852  0.2500  1
  Ru  Ru2  4  0.0000  0.2497  0.7500  1
  Ru  Ru3  4  0.2500  0.2500  0.5000  1
  Rh  Rh4  4  0.0000  0.4154  0.2500  1
]