data_[Ir18Pt6Rh18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.2513]
_cell_length_b [7.2513]
_cell_length_c [13.4374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ir3PtRh3]
_chemical_formula_sum '[Ir18 Pt6 Rh18]'
_cell_volume [611.8893]
_cell_formula_units_Z [6]
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  18  0.0487  0.8120  0.9179  1.0
  Rh  Rh1  18  0.0441  0.8068  0.4173  1.0
  Pt  Pt2  6  0.0000  0.0000  0.2491  1.0
]