data_[Tl4Cd4Au4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.7868]
_cell_length_b [13.5615]
_cell_length_c [5.8198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [TlCdAuS2]
_chemical_formula_sum '[Tl4 Cd4 Au4 S8]'
_cell_volume [535.6420]
_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  4  0.0000  0.2500  0.7943  1.0
  Cd  Cd1  4  0.2500  0.0000  0.5000  1.0
  Au  Au2  4  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.0000  0.1183  0.2922  1.0
]