data_[Tl12Sb8Pb4]
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 [C2/m]
_cell_length_a [18.2807]
_cell_length_b [4.9248]
_cell_length_c [11.0132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Sb2Pb]
_chemical_formula_sum '[Tl12 Sb8 Pb4]'
_cell_volume [848.7909]
_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  0.0357  0.0000  0.1934  1.0
  Tl  Tl1  4  0.1236  0.5000  0.0440  1.0
  Tl  Tl2  4  0.2179  0.0000  0.6131  1.0
  Sb  Sb3  4  0.1088  0.5000  0.4170  1.0
  Sb  Sb4  4  0.1767  0.0000  0.8886  1.0
  Pb  Pb5  4  0.0867  0.5000  0.6872  1.0
]