data_[Tl12Sn8Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.1184]
_cell_length_b [10.9927]
_cell_length_c [7.2024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3228]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(SnSb2)2]
_chemical_formula_sum '[Tl12 Sn8 Sb16]'
_cell_volume [1195.9875]
_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  8  0.0983  0.1054  0.8848  1
  Tl  Tl1  4  0.0000  0.4466  0.2500  1
  Sn  Sn2  8  0.2159  0.3772  0.6388  1
  Sb  Sb3  8  0.1021  0.1997  0.4406  1
  Sb  Sb4  8  0.1833  0.3686  0.0339  1
]