data_[Na9Cl5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.7256]
_cell_length_b [9.7256]
_cell_length_c [18.5675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Na9Cl5]
_chemical_formula_sum '[Na9 Cl5]'
_cell_volume [1520.9442]
_cell_formula_units_Z [1]
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  6  0.2025  0.4050  0.5349  1
  Na  Na1  3  0.0000  0.5000  0.3932  1
  Cl  Cl2  3  0.0000  0.5000  0.5854  1
  Cl  Cl3  2  0.3333  0.6667  0.4275  1
]