data_[Tl4Au8S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [7.6738]
_cell_length_b [12.4805]
_cell_length_c [4.8851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Tl2Au4S3]
_chemical_formula_sum '[Tl4 Au8 S6]'
_cell_volume [467.8598]
_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  0.2273  0.5000  0.7467  1.0
  Au  Au1  4  0.0000  0.1561  0.5516  1.0
  Au  Au2  4  0.2500  0.2500  0.0000  1.0
  S  S3  4  0.0000  0.3025  0.2484  1.0
  S  S4  2  0.0000  0.0000  0.8185  1.0
]