data_[Tl8S6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.9695]
_cell_length_b [8.7561]
_cell_length_c [9.5656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl4S3Cl]
_chemical_formula_sum '[Tl8 S6 Cl2]'
_cell_volume [499.9867]
_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  4  0.0000  0.1907  0.3599  1
  Tl  Tl1  2  0.0000  0.0000  0.8019  1
  Tl  Tl2  2  0.0000  0.5000  0.8919  1
  S  S3  4  0.0000  0.2546  0.6743  1
  S  S4  2  0.0000  0.0000  0.0646  1
  Cl  Cl5  2  0.0000  0.5000  0.2324  1
]