data_[Tl12In6Pb2]
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 [P2_1/m]
_cell_length_a [12.7012]
_cell_length_b [3.4079]
_cell_length_c [15.4618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6In3Pb]
_chemical_formula_sum '[Tl12 In6 Pb2]'
_cell_volume [617.9157]
_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  2  0.1230  0.2500  0.6085  1.0
  Tl  Tl1  2  0.1674  0.7500  0.4293  1.0
  Tl  Tl2  2  0.2137  0.2500  0.9653  1.0
  Tl  Tl3  2  0.3129  0.2500  0.2154  1.0
  Tl  Tl4  2  0.4051  0.7500  0.6509  1.0
  Tl  Tl5  2  0.4743  0.7500  0.0978  1.0
  In  In6  2  0.0753  0.7500  0.0926  1.0
  In  In7  2  0.2850  0.7500  0.8096  1.0
  In  In8  2  0.3923  0.2500  0.4399  1.0
  Pb  Pb9  2  0.0110  0.7500  0.7628  1.0
]