data_[Na4Li4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Aem2]
_cell_length_a [20.3573]
_cell_length_b [4.3853]
_cell_length_c [7.0487]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [39]
_chemical_formula_structural [NaLiS]
_chemical_formula_sum '[Na4 Li4 S4]'
_cell_volume [629.2570]
_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  0.3684  0.2500  0.3609  1
  Li  Li1  4  0.4615  0.2500  0.6694  1
  S  S2  4  0.4217  0.2500  0.0208  1
]