data_[Tl12Sb2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.0064]
_cell_length_b [3.5372]
_cell_length_c [15.3703]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7199]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl6SbPb3]
_chemical_formula_sum '[Tl12 Sb2 Pb6]'
_cell_volume [639.1453]
_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  0.1083  0.2500  0.7946  1.0
  Tl  Tl1  2  0.1285  0.7500  0.3886  1.0
  Tl  Tl2  2  0.1363  0.7500  0.9963  1.0
  Tl  Tl3  2  0.3629  0.7500  0.8302  1.0
  Tl  Tl4  2  0.3722  0.2500  0.4235  1.0
  Tl  Tl5  2  0.3883  0.7500  0.2133  1.0
  Sb  Sb6  2  0.3962  0.2500  0.0177  1.0
  Pb  Pb7  2  0.1323  0.2500  0.1956  1.0
  Pb  Pb8  2  0.1374  0.2500  0.5834  1.0
  Pb  Pb9  2  0.3721  0.7500  0.6176  1.0
]