data_[Ir4Ru8Rh6]
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/m]
_cell_length_a [11.5241]
_cell_length_b [3.8392]
_cell_length_c [6.0813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ir2Ru4Rh3]
_chemical_formula_sum '[Ir4 Ru8 Rh6]'
_cell_volume [255.2202]
_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
[
  Ru  Ru0  4  0.0596  0.5000  0.3369  1.0
  Ir  Ir1  4  0.1678  0.5000  0.0022  1.0
  Ru  Ru2  4  0.2193  0.0000  0.3329  1.0
  Rh  Rh3  4  0.1110  0.0000  0.6625  1.0
  Rh  Rh4  2  0.0000  0.0000  0.0000  1.0
]