data_[Na4Al8P4S24]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9482]
_cell_length_b [13.4367]
_cell_length_c [6.5886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaAl2PS6]
_chemical_formula_sum '[Na4 Al8 P4 S24]'
_cell_volume [970.8169]
_cell_formula_units_Z [4]
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  4  0.0000  0.3306  0.2500  1.0
  Al  Al1  8  0.2399  0.4241  0.9347  1.0
  P  P2  4  0.0000  0.2154  0.7500  1.0
  S  S3  8  0.0675  0.1289  0.0319  1.0
  S  S4  8  0.1340  0.2944  0.6970  1.0
  S  S5  8  0.2010  0.4350  0.2374  1.0
]