data_[Ir2Ru10Rh16]
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 [I-4]
_cell_length_a [7.5079]
_cell_length_b [7.5079]
_cell_length_c [7.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [IrRu5Rh8]
_chemical_formula_sum '[Ir2 Ru10 Rh16]'
_cell_volume [423.0351]
_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  8  0.1027  0.8082  0.9171  1
  Ru  Ru1  2  0.0000  0.0000  0.5000  1
  Ir  Ir2  2  0.0000  0.5000  0.2500  1
  Rh  Rh3  8  0.0657  0.6607  0.5835  1
  Rh  Rh4  8  0.1180  0.8146  0.2569  1
]