data_[Tb24Bi2Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Bi  2.0200  1.6000  1.0350
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [10.0364]
_cell_length_b [10.0364]
_cell_length_c [10.0364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [204]
_chemical_formula_structural [Tb12BiIr6]
_chemical_formula_sum '[Tb24 Bi2 Ir12]'
_cell_volume [1010.9576]
_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
[
  Tb  Tb0  24  0.0000  0.3028  0.8058  1
  Bi  Bi1  2  0.0000  0.0000  0.0000  1
  Ir  Ir2  12  0.0000  0.1256  0.5000  1
]