data_[Tl6In8Pb8]
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 [Amm2]
_cell_length_a [10.0091]
_cell_length_b [5.2821]
_cell_length_c [13.1469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl3(InPb)4]
_chemical_formula_sum '[Tl6 In8 Pb8]'
_cell_volume [695.0658]
_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  4  0.2641  0.0000  0.4154  1.0
  Tl  Tl1  2  0.0000  0.0000  0.2474  1.0
  In  In2  4  0.2721  0.0000  0.0980  1.0
  In  In3  2  0.0000  0.0000  0.5813  1.0
  In  In4  2  0.5000  0.0000  0.5916  1.0
  Pb  Pb5  4  0.2495  0.0000  0.7449  1.0
  Pb  Pb6  2  0.0000  0.0000  0.9410  1.0
  Pb  Pb7  2  0.5000  0.0000  0.9206  1.0
]