data_[Tl1Cu2Te2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4263]
_cell_length_b [6.5511]
_cell_length_c [7.2976]
_cell_angle_alpha [71.7760]
_cell_angle_beta [78.4874]
_cell_angle_gamma [72.1154]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCu2(TeS3)2]
_chemical_formula_sum '[Tl1 Cu2 Te2 S6]'
_cell_volume [275.8817]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Cu  Cu1  2  0.0181  0.2918  0.8733  1
  Te  Te2  2  0.4716  0.8311  0.8295  1
  S  S3  2  0.2045  0.5439  0.9058  1
  S  S4  2  0.2264  0.1480  0.6279  1
  S  S5  2  0.2537  0.8879  0.1278  1
]