data_[Li20Sb4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.5738]
_cell_length_b [12.4590]
_cell_length_c [7.8685]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li5SbS4]
_chemical_formula_sum '[Li20 Sb4 S16]'
_cell_volume [742.4870]
_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  0.1832  0.0649  0.3076  1.0
  Li  Li1  8  0.2120  0.3686  0.5155  1.0
  Li  Li2  4  0.0000  0.1325  0.7182  1.0
  Sb  Sb3  4  0.0000  0.3363  0.0914  1.0
  S  S4  8  0.2412  0.2583  0.2623  1.0
  S  S5  4  0.0000  0.0233  0.0252  1.0
  S  S6  4  0.0000  0.4793  0.7102  1.0
]