data_[Tl10As2S8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [9.7962]
_cell_length_b [9.8826]
_cell_length_c [8.0354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Tl5As(S2Cl)2]
_chemical_formula_sum '[Tl10 As2 S8 Cl4]'
_cell_volume [777.9227]
_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  8  0.2396  0.1911  0.0714  1.0
  Tl  Tl1  2  0.5000  0.0000  0.5520  1.0
  As  As2  2  0.0000  0.0000  0.6282  1.0
  S  S3  4  0.0000  0.1838  0.7817  1.0
  S  S4  4  0.1847  0.0000  0.4715  1.0
  Cl  Cl5  4  0.5000  0.2314  0.8112  1.0
]