data_[Tl2In2Cu2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9717]
_cell_length_b [10.8348]
_cell_length_c [7.1171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3402]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TlInCuCl6]
_chemical_formula_sum '[Tl2 In2 Cu2 Cl12]'
_cell_volume [535.2683]
_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  0.9873  0.0000  1.0
  In  In1  2  0.0000  0.3213  0.5000  1.0
  Cu  Cu2  2  0.0000  0.6665  0.5000  1.0
  Cl  Cl3  4  0.1174  0.5123  0.7033  1.0
  Cl  Cl4  4  0.1727  0.1863  0.7379  1.0
  Cl  Cl5  4  0.1826  0.8139  0.6718  1.0
]