data_[Ba6Tl8Sn4Bi4]
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
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.1041]
_cell_length_b [5.1041]
_cell_length_c [31.6597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Tl4(SnBi)2]
_chemical_formula_sum '[Ba6 Tl8 Sn4 Bi4]'
_cell_volume [824.8020]
_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  4  0.0000  0.0000  0.1991  1.0
  Ba  Ba1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.0000  0.5000  0.1083  1.0
  Sn  Sn3  4  0.0000  0.0000  0.4569  1.0
  Bi  Bi4  4  0.0000  0.0000  0.3147  1.0
]