data_[Ba4Tl12Bi4]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.1860]
_cell_length_b [31.6427]
_cell_length_c [4.7272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [BaTl3Bi]
_chemical_formula_sum '[Ba4 Tl12 Bi4]'
_cell_volume [775.7374]
_cell_formula_units_Z [4]
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  0.1690  0.5000  1.0
  Tl  Tl1  4  0.0000  0.0539  0.0000  1.0
  Tl  Tl2  4  0.0000  0.2727  0.0000  1.0
  Tl  Tl3  4  0.0000  0.4457  0.5000  1.0
  Bi  Bi4  4  0.0000  0.3719  0.0000  1.0
]