data_[Ir36Os18Rh3]
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 [R-3]
_cell_length_a [9.3187]
_cell_length_b [9.3187]
_cell_length_c [11.3765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ir12Os6Rh]
_chemical_formula_sum '[Ir36 Os18 Rh3]'
_cell_volume [855.5602]
_cell_formula_units_Z [3]
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  18  0.0198  0.4343  0.6953  1
  Ir  Ir1  18  0.0311  0.1821  0.8105  1
  Ir  Ir2  18  0.0684  0.8505  0.4158  1
  Rh  Rh3  3  0.0000  0.0000  0.0000  1
]