data_[Na14Al2S9]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [7.9861]
_cell_length_b [7.9861]
_cell_length_c [10.9351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Na14Al2S9]
_chemical_formula_sum '[Na14 Al2 S9]'
_cell_volume [603.9748]
_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  0.0414  0.6792  0.9052  1
  Na  Na1  6  0.0933  0.4069  0.6022  1
  Na  Na2  2  0.0000  0.0000  0.2531  1
  Al  Al3  2  0.3333  0.6667  0.2695  1
  S  S4  6  0.0967  0.3719  0.3413  1
  S  S5  2  0.3333  0.6667  0.0590  1
  S  S6  1  0.0000  0.0000  0.0000  1
]