data_[Tl5In2Pb4]
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 [3.5650]
_cell_length_b [7.7439]
_cell_length_c [12.5140]
_cell_angle_alpha [86.8218]
_cell_angle_beta [84.2369]
_cell_angle_gamma [78.0188]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl5(InPb2)2]
_chemical_formula_sum '[Tl5 In2 Pb4]'
_cell_volume [336.0335]
_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  2  0.1896  0.4051  0.7251  1
  Tl  Tl1  2  0.4615  0.7727  0.8133  1
  Tl  Tl2  1  0.0000  0.5000  0.0000  1
  In  In3  2  0.0815  0.9572  0.3658  1
  Pb  Pb4  2  0.2643  0.8690  0.0936  1
  Pb  Pb5  2  0.3533  0.3105  0.4595  1
]