data_[Tl8S8]
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
]
_symmetry_space_group_name_H-M [P4_32_12]
_cell_length_a [6.6519]
_cell_length_b [6.6519]
_cell_length_c [10.9535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [96]
_chemical_formula_structural [TlS]
_chemical_formula_sum '[Tl8 S8]'
_cell_volume [484.6662]
_cell_formula_units_Z [8]
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  0.2003  0.2003  0.0000  1.0
  Tl  Tl1  4  0.2376  0.2376  0.5000  1.0
  S  S2  8  0.1936  0.7675  0.5306  1.0
]