data_[Tl8In1Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [12.6224]
_cell_length_b [12.6224]
_cell_length_c [3.5633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tl8InPb6]
_chemical_formula_sum '[Tl8 In1 Pb6]'
_cell_volume [491.6576]
_cell_formula_units_Z [1]
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  0.0767  0.7940  0.7621  1
  Tl  Tl1  2  0.3333  0.6667  0.2455  1
  In  In2  1  0.0000  0.0000  0.5000  1
  Pb  Pb3  6  0.0901  0.4698  0.7499  1
]