data_[Tl8Cu8Sn4S16]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [5.3258]
_cell_length_b [11.7192]
_cell_length_c [13.7728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Tl2Cu2SnS4]
_chemical_formula_sum '[Tl8 Cu8 Sn4 S16]'
_cell_volume [859.6130]
_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  8  0.2372  0.8796  0.0000  1.0
  Cu  Cu1  8  0.0000  0.2260  0.2500  1.0
  Sn  Sn2  4  0.0000  0.5000  0.2500  1.0
  S  S3  16  0.2321  0.3685  0.3553  1.0
]