data_[Tl2Cu2Sb2Cl12]
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
  Sb  2.0500  1.4500  0.8300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.2386]
_cell_length_b [11.4404]
_cell_length_c [6.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlCuSbCl6]
_chemical_formula_sum '[Tl2 Cu2 Sb2 Cl12]'
_cell_volume [568.2204]
_cell_formula_units_Z [2]
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  2  0.0000  0.0144  0.5000  1
  Cu  Cu1  2  0.0000  0.3346  0.0000  1
  Sb  Sb2  2  0.0000  0.6791  0.0000  1
  Cl  Cl3  4  0.1183  0.4737  0.2202  1
  Cl  Cl4  4  0.1621  0.8203  0.2437  1
  Cl  Cl5  4  0.1843  0.1916  0.1701  1
]