data_[Tl12In8Pb16]
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 [C2/c]
_cell_length_a [16.9702]
_cell_length_b [10.0150]
_cell_length_c [6.7890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(InPb2)2]
_chemical_formula_sum '[Tl12 In8 Pb16]'
_cell_volume [1105.2076]
_cell_formula_units_Z [4]
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  8  0.1594  0.0077  0.3672  1
  Tl  Tl1  4  0.0000  0.4931  0.2500  1
  In  In2  8  0.1748  0.3349  0.3056  1
  Pb  Pb3  8  0.0014  0.1802  0.0003  1
  Pb  Pb4  8  0.1741  0.3278  0.8030  1
]