data_[Na6Al3Cu3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.6563]
_cell_length_b [6.6563]
_cell_length_c [18.8273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2AlCuCl6]
_chemical_formula_sum '[Na6 Al3 Cu3 Cl18]'
_cell_volume [722.4076]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0175  1.0
  Na  Na1  3  0.0000  0.0000  0.5325  1.0
  Al  Al2  3  0.0000  0.0000  0.3295  1.0
  Cu  Cu3  3  0.0000  0.0000  0.7421  1.0
  Cl  Cl4  9  0.0303  0.7310  0.4139  1.0
  Cl  Cl5  9  0.0574  0.3638  0.9327  1.0
]