data_[Ni18Ir6Rh36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.5121]
_cell_length_b [10.5121]
_cell_length_c [8.7201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ni3IrRh6]
_chemical_formula_sum '[Ni18 Ir6 Rh36]'
_cell_volume [834.5122]
_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
[
  Ni  Ni0  18  0.0826  0.1651  0.7526  1
  Ir  Ir1  3  0.0000  0.0000  0.0000  1
  Ir  Ir2  3  0.0000  0.0000  0.5000  1
  Rh  Rh3  18  0.0000  0.2567  0.0000  1
  Rh  Rh4  18  0.0567  0.5283  0.1250  1
]