data_[Na5Cl6]
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 [P31m]
_cell_length_a [7.6291]
_cell_length_b [7.6291]
_cell_length_c [18.8034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Na5Cl6]
_chemical_formula_sum '[Na5 Cl6]'
_cell_volume [947.8014]
_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  3  0.0000  0.2948  0.5453  1
  Na  Na1  2  0.3333  0.6667  0.4152  1
  Cl  Cl2  3  0.0000  0.6975  0.4297  1
  Cl  Cl3  2  0.3333  0.6667  0.5636  1
  Cl  Cl4  1  0.0000  0.0000  0.6175  1
]