data_[Tl16S4Cl8]
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 [Cmcm]
_cell_length_a [4.3180]
_cell_length_b [15.6772]
_cell_length_c [14.4822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl4SCl2]
_chemical_formula_sum '[Tl16 S4 Cl8]'
_cell_volume [980.3598]
_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  8  0.0000  0.2146  0.6351  1.0
  Tl  Tl1  4  0.0000  0.0220  0.2500  1.0
  Tl  Tl2  4  0.0000  0.5000  0.0000  1.0
  S  S3  4  0.0000  0.3940  0.2500  1.0
  Cl  Cl4  8  0.0000  0.1359  0.0517  1.0
]