data_[Ba4Tl8Pb12]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1027]
_cell_length_b [5.5189]
_cell_length_c [8.0750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaTl2Pb3]
_chemical_formula_sum '[Ba4 Tl8 Pb12]'
_cell_volume [823.7356]
_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  0.1178  0.0000  0.1775  1
  Tl  Tl1  4  0.0220  0.5000  0.8258  1
  Tl  Tl2  4  0.2359  0.0000  0.6553  1
  Pb  Pb3  4  0.0660  0.0000  0.6693  1
  Pb  Pb4  4  0.1215  0.5000  0.5097  1
  Pb  Pb5  4  0.2005  0.5000  0.9230  1
]