data_[Ba2Tl10Pb14]
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 [Imm2]
_cell_length_a [6.4649]
_cell_length_b [11.4076]
_cell_length_c [11.7014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [BaTl5Pb7]
_chemical_formula_sum '[Ba2 Tl10 Pb14]'
_cell_volume [862.9673]
_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  0.0000  0.0014  1.0
  Tl  Tl1  8  0.2499  0.2515  0.7491  1.0
  Tl  Tl2  2  0.0000  0.5000  0.7137  1.0
  Pb  Pb3  4  0.0000  0.2796  0.4980  1.0
  Pb  Pb4  4  0.0000  0.3569  0.0003  1.0
  Pb  Pb5  2  0.0000  0.0000  0.3616  1.0
  Pb  Pb6  2  0.0000  0.0000  0.6454  1.0
  Pb  Pb7  2  0.0000  0.5000  0.2846  1.0
]