data_[Ir2Ru4Rh6]
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 [5.4166]
_cell_length_b [3.8436]
_cell_length_c [8.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [IrRu2Rh3]
_chemical_formula_sum '[Ir2 Ru4 Rh6]'
_cell_volume [170.5619]
_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  2  0.1202  0.2500  0.9222  1.0
  Ir  Ir1  2  0.1253  0.2500  0.2447  1.0
  Ru  Ru2  2  0.3775  0.7500  0.4191  1.0
  Rh  Rh3  2  0.1253  0.2500  0.5831  1.0
  Rh  Rh4  2  0.3741  0.7500  0.0864  1.0
  Rh  Rh5  2  0.3747  0.7500  0.7445  1.0
]