data_[Ir6Ru12Rh2]
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 [P2_1/m]
_cell_length_a [9.8687]
_cell_length_b [2.7154]
_cell_length_c [10.9577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ir3Ru6Rh]
_chemical_formula_sum '[Ir6 Ru12 Rh2]'
_cell_volume [288.2713]
_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  2  0.0750  0.2500  0.1014  1
  Ru  Ru1  2  0.1245  0.2500  0.4875  1
  Ru  Ru2  2  0.1937  0.7500  0.9320  1
  Ru  Ru3  2  0.2289  0.7500  0.2801  1
  Ru  Ru4  2  0.2702  0.7500  0.7070  1
  Ru  Ru5  2  0.3469  0.2500  0.1258  1
  Ir  Ir6  2  0.3731  0.7500  0.4972  1
  Ir  Ir7  2  0.4166  0.2500  0.9024  1
  Ru  Ru8  2  0.4940  0.2500  0.6885  1
  Rh  Rh9  2  0.0362  0.2500  0.7156  1
]