data_[Tl2Si2Sb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6862]
_cell_length_b [6.6904]
_cell_length_c [8.7861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlSiSbS4]
_chemical_formula_sum '[Tl2 Si2 Sb2 S8]'
_cell_volume [373.6022]
_cell_formula_units_Z [2]
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  0.2610  0.2500  0.0603  1.0
  Si  Si1  2  0.2366  0.7500  0.3233  1.0
  Sb  Sb2  2  0.2403  0.2500  0.5162  1.0
  S  S3  4  0.0279  0.0018  0.2846  1.0
  S  S4  2  0.4296  0.7500  0.1759  1.0
  S  S5  2  0.4306  0.7500  0.5721  1.0
]