data_[Ir16Ru4Rh4]
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 [2.7399]
_cell_length_b [14.2230]
_cell_length_c [8.8758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ir4RuRh]
_chemical_formula_sum '[Ir16 Ru4 Rh4]'
_cell_volume [345.8792]
_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  0.0023  0.7682  1.0
  Ir  Ir1  4  0.0000  0.1110  0.5191  1.0
  Ir  Ir2  4  0.0000  0.3315  0.7699  1.0
  Ru  Ru3  4  0.0000  0.3331  0.2671  1.0
  Ir  Ir4  4  0.0000  0.4447  0.5185  1.0
  Rh  Rh5  4  0.0000  0.2220  0.0182  1.0
]