data_[Li20S4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3490]
_cell_length_b [7.5417]
_cell_length_c [7.3962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Li5SN]
_chemical_formula_sum '[Li20 S4 N4]'
_cell_volume [409.9234]
_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
[
  Li  Li0  8  0.1925  0.2500  0.4984  1
  Li  Li1  8  0.2500  0.0075  0.2500  1
  Li  Li2  4  0.0000  0.2500  0.8271  1
  S  S3  4  0.0000  0.2500  0.2292  1
  N  N4  4  0.2500  0.2500  0.7500  1
]