data_[Tl2In2Pb2]
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-1]
_cell_length_a [3.4848]
_cell_length_b [5.9299]
_cell_length_c [9.4033]
_cell_angle_alpha [78.3827]
_cell_angle_beta [80.5790]
_cell_angle_gamma [74.8854]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlInPb]
_chemical_formula_sum '[Tl2 In2 Pb2]'
_cell_volume [182.4781]
_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  0.3209  0.7457  0.0850  1.0
  In  In1  2  0.0052  0.7531  0.7469  1.0
  Pb  Pb2  2  0.3372  0.2476  0.5842  1.0
]