data_[Na6Si3S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3824]
_cell_length_b [6.7820]
_cell_length_c [7.7830]
_cell_angle_alpha [107.7339]
_cell_angle_beta [99.3737]
_cell_angle_gamma [94.9426]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Si3S]
_chemical_formula_sum '[Na6 Si3 S1]'
_cell_volume [264.1913]
_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  1  0.1407  0.2723  0.7783  1
  Na  Na1  1  0.3442  0.7280  0.7171  1
  Na  Na2  1  0.4919  0.1653  0.4259  1
  Na  Na3  1  0.6957  0.4045  0.0467  1
  Na  Na4  1  0.7786  0.7700  0.4503  1
  Na  Na5  1  0.8894  0.9582  0.0615  1
  Si  Si6  1  0.0205  0.3698  0.4119  1
  Si  Si7  1  0.2214  0.5381  0.2607  1
  Si  Si8  1  0.3533  0.7277  0.0988  1
  S  S9  1  0.6650  0.0663  0.7488  1
]