data_[Li4Ag4Sn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.4970]
_cell_length_b [3.8191]
_cell_length_c [10.8453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiAgSnS3]
_chemical_formula_sum '[Li4 Ag4 Sn4 S12]'
_cell_volume [559.0316]
_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  4  0.2215  0.7500  0.8077  1
  Ag  Ag1  4  0.0775  0.2500  0.0418  1
  Sn  Sn2  4  0.0043  0.2500  0.6523  1
  S  S3  4  0.1058  0.2500  0.2602  1
  S  S4  4  0.1076  0.7500  0.5447  1
  S  S5  4  0.1238  0.2500  0.8303  1
]