data_[Ir10Ru2Rh12]
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 [Immm]
_cell_length_a [3.8444]
_cell_length_b [7.7244]
_cell_length_c [11.5433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ir5RuRh6]
_chemical_formula_sum '[Ir10 Ru2 Rh12]'
_cell_volume [342.7924]
_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
[
  Ir  Ir0  4  0.0000  0.0000  0.3341  1
  Ir  Ir1  4  0.0000  0.5000  0.3346  1
  Ru  Ru2  2  0.0000  0.0000  0.0000  1
  Ir  Ir3  2  0.0000  0.5000  0.0000  1
  Rh  Rh4  8  0.0000  0.2490  0.1665  1
  Rh  Rh5  4  0.0000  0.2520  0.5000  1
]