data_[Ba8Tl24In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [10.4835]
_cell_length_b [10.4835]
_cell_length_c [10.4835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Ba4Tl12In]
_chemical_formula_sum '[Ba8 Tl24 In2]'
_cell_volume [1152.1847]
_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
[
  Ba  Ba0  8  0.2500  0.2500  0.2500  1
  Tl  Tl1  12  0.0000  0.0000  0.3061  1
  Tl  Tl2  12  0.0000  0.2500  0.5000  1
  In  In3  2  0.0000  0.0000  0.0000  1
]