data_[Tl12Te8Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [11.5056]
_cell_length_b [11.5056]
_cell_length_c [7.2234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Tl6Te4Pb]
_chemical_formula_sum '[Tl12 Te8 Pb2]'
_cell_volume [828.1184]
_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
[
  Tl  Tl0  6  0.0406  0.5203  0.8686  1
  Tl  Tl1  6  0.1564  0.3127  0.5819  1
  Te  Te2  6  0.1792  0.3584  0.1024  1
  Te  Te3  2  0.3333  0.6667  0.6396  1
  Pb  Pb4  2  0.3333  0.6667  0.2093  1
]