data_[Ir4Ru4Rh16]
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 [Cmc2_1]
_cell_length_a [2.7320]
_cell_length_b [14.1838]
_cell_length_c [8.8566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [IrRuRh4]
_chemical_formula_sum '[Ir4 Ru4 Rh16]'
_cell_volume [343.1894]
_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  0.0000  0.2227  0.0161  1.0
  Ru  Ru1  4  0.0000  0.3331  0.2702  1.0
  Rh  Rh2  4  0.0000  0.0028  0.7690  1.0
  Rh  Rh3  4  0.0000  0.1116  0.5202  1.0
  Rh  Rh4  4  0.0000  0.3305  0.7664  1.0
  Rh  Rh5  4  0.0000  0.4442  0.5191  1.0
]