data_[La18Bi6Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [8.0501]
_cell_length_b [8.0501]
_cell_length_c [18.2145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [La3BiIr]
_chemical_formula_sum '[La18 Bi6 Ir6]'
_cell_volume [1022.2310]
_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
[
  La  La0  18  0.0000  0.5799  0.7500  1.0
  Bi  Bi1  6  0.0000  0.0000  0.2500  1.0
  Ir  Ir2  6  0.0000  0.0000  0.0000  1.0
]