data_[Tl1Cu1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7278]
_cell_length_b [6.8919]
_cell_length_c [7.1523]
_cell_angle_alpha [64.9869]
_cell_angle_beta [77.5102]
_cell_angle_gamma [85.2479]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlCuCl6]
_chemical_formula_sum '[Tl1 Cu1 Cl6]'
_cell_volume [249.7944]
_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  0.0000  1.0
  Cu  Cu1  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  2  0.0847  0.6708  0.1932  1.0
  Cl  Cl3  2  0.2210  0.1097  0.1514  1.0
  Cl  Cl4  2  0.4304  0.6939  0.6545  1.0
]