data_[Na4Al4Si4S16]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.8601]
_cell_length_b [11.4732]
_cell_length_c [7.1198]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaAlSiS4]
_chemical_formula_sum '[Na4 Al4 Si4 S16]'
_cell_volume [642.0663]
_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  0.5000  0.0000  1.0
  Al  Al1  4  0.0000  0.1272  0.2500  1.0
  Si  Si2  4  0.0000  0.1314  0.7500  1.0
  S  S3  8  0.0000  0.2446  0.5097  1.0
  S  S4  8  0.2090  0.0100  0.7500  1.0
]