data_[Tl12In4Pb12]
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/c]
_cell_length_a [11.9450]
_cell_length_b [9.3397]
_cell_length_c [8.0221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl3InPb3]
_chemical_formula_sum '[Tl12 In4 Pb12]'
_cell_volume [872.1491]
_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  4  0.0172  0.1832  0.9584  1
  Tl  Tl1  4  0.3917  0.5136  0.1078  1
  Tl  Tl2  4  0.4765  0.1741  0.0356  1
  In  In3  4  0.1055  0.5211  0.8890  1
  Pb  Pb4  4  0.1727  0.5909  0.2988  1
  Pb  Pb5  4  0.2484  0.2379  0.2513  1
  Pb  Pb6  4  0.3182  0.6144  0.6964  1
]