data_[Tl16Cr8Cu8S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.4246]
_cell_length_b [13.5307]
_cell_length_c [21.7780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Tl2CrCuS4]
_chemical_formula_sum '[Tl16 Cr8 Cu8 S32]'
_cell_volume [1598.4780]
_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  0.1797  1
  Cr  Cr1  8  0.0000  0.0000  0.0000  1
  Cu  Cu2  8  0.0000  0.0000  0.5000  1
  S  S3  32  0.0248  0.1573  0.3069  1
]