data_[Ba4Tl4Pb6]
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 [12.6485]
_cell_length_b [5.0916]
_cell_length_c [8.1546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8319]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Tl2Pb3]
_chemical_formula_sum '[Ba4 Tl4 Pb6]'
_cell_volume [499.9328]
_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  4  0.1365  0.0000  0.7724  1.0
  Tl  Tl1  4  0.1617  0.0000  0.2330  1.0
  Pb  Pb2  4  0.1050  0.5000  0.4318  1.0
  Pb  Pb3  2  0.0000  0.5000  0.0000  1.0
]