data_[Na6Cu2Cl8]
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 [Pmn2_1]
_cell_length_a [8.6425]
_cell_length_b [7.4251]
_cell_length_c [6.7899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na3CuCl4]
_chemical_formula_sum '[Na6 Cu2 Cl8]'
_cell_volume [435.7192]
_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  0.2458  0.6706  0.0056  1.0
  Na  Na1  2  0.0000  0.8532  0.5093  1.0
  Cu  Cu2  2  0.0000  0.1759  0.0094  1.0
  Cl  Cl3  4  0.2312  0.3187  0.1075  1.0
  Cl  Cl4  2  0.0000  0.1850  0.6602  1.0
  Cl  Cl5  2  0.0000  0.8708  0.1102  1.0
]