data_[Na4Cu4Cl8]
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 [Pnma]
_cell_length_a [13.5710]
_cell_length_b [4.1057]
_cell_length_c [6.8345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaCuCl2]
_chemical_formula_sum '[Na4 Cu4 Cl8]'
_cell_volume [380.8025]
_cell_formula_units_Z [4]
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  0.1417  0.7500  0.5055  1
  Cu  Cu1  4  0.0790  0.2500  0.0189  1
  Cl  Cl2  4  0.0390  0.2500  0.7161  1
  Cl  Cl3  4  0.1915  0.2500  0.2450  1
]