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 [15.1978]
_cell_length_b [10.9463]
_cell_length_c [7.2444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl3(SnSb2)2]
_chemical_formula_sum '[Tl12 Sn8 Sb16]'
_cell_volume [1204.0455]
_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  0.0979  0.1060  0.3850  1.0
  Tl  Tl1  4  0.0000  0.4465  0.7500  1.0
  Sn  Sn2  8  0.2163  0.3768  0.1388  1.0
  Sb  Sb3  8  0.1017  0.1996  0.9411  1.0
  Sb  Sb4  8  0.1832  0.3678  0.5335  1.0
]