data_[Ni6Ir3Rh18]
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 [R3m]
_cell_length_a [5.2684]
_cell_length_b [5.2684]
_cell_length_c [18.4639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ni2IrRh6]
_chemical_formula_sum '[Ni6 Ir3 Rh18]'
_cell_volume [443.8176]
_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
[
  Ni  Ni0  3  0.0000  0.0000  0.2283  1
  Ni  Ni1  3  0.0000  0.0000  0.4422  1
  Ir  Ir2  3  0.0000  0.0000  0.6649  1
  Rh  Rh3  9  0.1705  0.3411  0.7727  1
  Rh  Rh4  9  0.1710  0.3419  0.5603  1
]