data_[Na4Cu2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1994]
_cell_length_b [12.9274]
_cell_length_c [5.8679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Na2CuCl3]
_chemical_formula_sum '[Na4 Cu2 Cl6]'
_cell_volume [318.5560]
_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  4  0.0000  0.1602  0.7545  1.0
  Cu  Cu1  2  0.0000  0.5000  0.7470  1.0
  Cl  Cl2  4  0.0000  0.3462  0.9680  1.0
  Cl  Cl3  2  0.0000  0.0000  0.0509  1.0
]