data_[Na2Tl1Cu2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.3182]
_cell_length_b [7.4451]
_cell_length_c [7.6303]
_cell_angle_alpha [115.5465]
_cell_angle_beta [94.7606]
_cell_angle_gamma [116.8564]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2Tl(CuCl3)2]
_chemical_formula_sum '[Na2 Tl1 Cu2 Cl6]'
_cell_volume [314.0679]
_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
[
  Na  Na0  2  0.1887  0.3677  0.5423  1.0
  Tl  Tl1  1  0.5000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.1915  0.2645  0.0542  1.0
  Cl  Cl3  2  0.0758  0.4749  0.2564  1.0
  Cl  Cl4  2  0.2003  0.1292  0.7394  1.0
  Cl  Cl5  2  0.3867  0.2112  0.2499  1.0
]