data_[Tl2Sn1Sb2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.9374]
_cell_length_b [6.9374]
_cell_length_c [7.4315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Tl2Sn(SbS3)2]
_chemical_formula_sum '[Tl2 Sn1 Sb2 S6]'
_cell_volume [309.7389]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.5698  1.0
  Sn  Sn1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.3333  0.6667  0.0335  1.0
  S  S3  6  0.0825  0.7519  0.2151  1.0
]