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 [18.0166]
_cell_length_b [4.8301]
_cell_length_c [11.1851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3Sb2Pb]
_chemical_formula_sum '[Tl12 Sb8 Pb4]'
_cell_volume [841.4052]
_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  0.0374  0.0000  0.1949  1
  Tl  Tl1  4  0.1237  0.5000  0.0454  1
  Tl  Tl2  4  0.2176  0.0000  0.6141  1
  Sb  Sb3  4  0.1077  0.5000  0.4177  1
  Sb  Sb4  4  0.1752  0.0000  0.8899  1
  Pb  Pb5  4  0.0875  0.5000  0.6873  1
]