data_[Ir2Os4Rh12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6140]
_cell_length_b [3.8513]
_cell_length_c [8.1885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ir(OsRh3)2]
_chemical_formula_sum '[Ir2 Os4 Rh12]'
_cell_volume [258.0080]
_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
[
  Os  Os0  4  0.1684  0.5000  0.0521  1.0
  Ir  Ir1  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh2  4  0.0021  0.0000  0.8345  1.0
  Rh  Rh3  4  0.1683  0.5000  0.7273  1.0
  Rh  Rh4  4  0.1695  0.5000  0.3886  1.0
]