data_[Tl18Sb6Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.5856]
_cell_length_b [5.5856]
_cell_length_c [33.0914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl6Sb2Pb]
_chemical_formula_sum '[Tl18 Sb6 Pb3]'
_cell_volume [894.0900]
_cell_formula_units_Z [3]
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  0.0000  0.0000  0.1980  1.0
  Tl  Tl1  6  0.0000  0.0000  0.3027  1.0
  Tl  Tl2  6  0.0000  0.0000  0.4066  1.0
  Sb  Sb3  6  0.0000  0.0000  0.1018  1.0
  Pb  Pb4  3  0.0000  0.0000  0.0000  1.0
]