data_[Ba4Tl4Bi8Pb4]
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 [C2/m]
_cell_length_a [17.8331]
_cell_length_b [5.4799]
_cell_length_c [9.6899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTlBi2Pb]
_chemical_formula_sum '[Ba4 Tl4 Bi8 Pb4]'
_cell_volume [799.5243]
_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  0.2485  0.5000  0.2374  1
  Tl  Tl1  4  0.0734  0.5000  0.7375  1
  Bi  Bi2  4  0.1222  0.0000  0.9552  1
  Bi  Bi3  4  0.1374  0.5000  0.4744  1
  Pb  Pb4  4  0.0856  0.0000  0.2539  1
]