data_[Ba2Tl4Bi4Pb2]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.2060]
_cell_length_b [10.3605]
_cell_length_c [8.4753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [BaTl2Bi2Pb]
_chemical_formula_sum '[Ba2 Tl4 Bi4 Pb2]'
_cell_volume [457.1351]
_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  0.4001  0.9895  1.0
  Tl  Tl1  2  0.0000  0.1900  0.3507  1.0
  Tl  Tl2  2  0.5000  0.0660  0.0475  1.0
  Bi  Bi3  2  0.0000  0.1166  0.7232  1.0
  Bi  Bi4  2  0.5000  0.4019  0.2872  1.0
  Pb  Pb5  2  0.5000  0.2972  0.6474  1.0
]