data_[Tl16Zn8As8S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.9548]
_cell_length_b [13.1547]
_cell_length_c [22.7535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Tl2ZnAsS4]
_chemical_formula_sum '[Tl16 Zn8 As8 S32]'
_cell_volume [1782.3575]
_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  16  0.0000  0.0000  0.1845  1
  Zn  Zn1  8  0.0000  0.0000  0.0000  1
  As  As2  8  0.0000  0.0000  0.5000  1
  S  S3  32  0.0059  0.1467  0.6979  1
]