data_[Li4Ag4S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.9752]
_cell_length_b [19.9616]
_cell_length_c [4.7344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7005]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [LiAgS]
_chemical_formula_sum '[Li4 Ag4 S4]'
_cell_volume [659.1599]
_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  2  0.4656  0.3757  0.8732  1
  Li  Li1  2  0.8552  0.4434  0.5606  1
  Ag  Ag2  2  0.1143  0.4416  0.0639  1
  Ag  Ag3  2  0.4743  0.4612  0.3724  1
  S  S4  2  0.2002  0.3996  0.5746  1
  S  S5  2  0.7412  0.4265  0.0554  1
]