data_[Na8Cu2Cl10]
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 [I4]
_cell_length_a [8.7532]
_cell_length_b [8.7532]
_cell_length_c [5.7044]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Na4CuCl5]
_chemical_formula_sum '[Na8 Cu2 Cl10]'
_cell_volume [437.0659]
_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  8  0.0980  0.7017  0.5023  1.0
  Cu  Cu1  2  0.0000  0.0000  0.9351  1.0
  Cl  Cl2  8  0.0913  0.7160  0.0053  1.0
  Cl  Cl3  2  0.0000  0.0000  0.5241  1.0
]