data_[Tl4Sb4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.3334]
_cell_length_b [6.4974]
_cell_length_c [12.7679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3831]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [TlSbS2]
_chemical_formula_sum '[Tl4 Sb4 S8]'
_cell_volume [489.2407]
_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  0.3622  0.2669  0.3790  1
  Sb  Sb1  4  0.0927  0.1971  0.6256  1
  S  S2  4  0.1426  0.1752  0.1170  1
  S  S3  4  0.2799  0.2145  0.8506  1
]