data_[Tl4Cu4Te8W4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  W  2.3600  1.3500  0.7667
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6886]
_cell_length_b [16.0159]
_cell_length_c [9.5516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlCuTe2WS]
_chemical_formula_sum '[Tl4 Cu4 Te8 W4 S4]'
_cell_volume [564.2681]
_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  0.2688  0.7500  1
  Cu  Cu1  4  0.0000  0.4763  0.2500  1
  Te  Te2  8  0.0000  0.3715  0.0460  1
  W  W3  4  0.0000  0.0000  0.0000  1
  S  S4  4  0.0000  0.0573  0.2500  1
]