data_[La16Bi4Ir6]
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 [C2/m]
_cell_length_a [16.6781]
_cell_length_b [8.4036]
_cell_length_c [7.2523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3115]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Bi2Ir3]
_chemical_formula_sum '[La16 Bi4 Ir6]'
_cell_volume [975.5396]
_cell_formula_units_Z [2]
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  8  0.1029  0.2395  0.3959  1.0
  La  La1  4  0.0966  0.5000  0.9069  1.0
  La  La2  4  0.0988  0.0000  0.8998  1.0
  Bi  Bi3  4  0.2430  0.5000  0.6666  1.0
  Ir  Ir4  4  0.0000  0.2516  0.0000  1.0
  Ir  Ir5  2  0.0000  0.0000  0.5000  1.0
]