data_[Ba2Tl4Sn2Bi4]
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 [Pmc2_1]
_cell_length_a [5.4555]
_cell_length_b [9.9086]
_cell_length_c [8.0921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BaTl2SnBi2]
_chemical_formula_sum '[Ba2 Tl4 Sn2 Bi4]'
_cell_volume [437.4277]
_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  2  0.0000  0.4327  0.5038  1
  Tl  Tl1  2  0.0000  0.1682  0.8250  1
  Tl  Tl2  2  0.5000  0.0563  0.5330  1
  Sn  Sn3  2  0.5000  0.3084  0.1712  1
  Bi  Bi4  2  0.0000  0.1552  0.2217  1
  Bi  Bi5  2  0.5000  0.3777  0.7909  1
]