data_[Na2Tl2Cu2Cl6]
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 [P2_1/m]
_cell_length_a [8.8743]
_cell_length_b [4.0475]
_cell_length_c [9.1734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaTlCuCl3]
_chemical_formula_sum '[Na2 Tl2 Cu2 Cl6]'
_cell_volume [319.9492]
_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
[
  Na  Na0  2  0.3460  0.7500  0.8514  1.0
  Tl  Tl1  2  0.1949  0.2500  0.2156  1.0
  Cu  Cu2  2  0.0644  0.2500  0.5864  1.0
  Cl  Cl3  2  0.1180  0.2500  0.8471  1.0
  Cl  Cl4  2  0.1993  0.7500  0.5302  1.0
  Cl  Cl5  2  0.4402  0.7500  0.1638  1.0
]