data_[Li24Sb4S8]
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 [P2_1/c]
_cell_length_a [6.0082]
_cell_length_b [6.1869]
_cell_length_c [18.0365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5408]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li6SbS2]
_chemical_formula_sum '[Li24 Sb4 S8]'
_cell_volume [659.1398]
_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  0.0375  0.7440  0.8220  1
  Li  Li1  4  0.0400  0.2396  0.8358  1
  Li  Li2  4  0.0885  0.6684  0.4712  1
  Li  Li3  4  0.4629  0.2419  0.9984  1
  Li  Li4  4  0.4743  0.7172  0.6698  1
  Li  Li5  4  0.4780  0.2367  0.1730  1
  Sb  Sb6  4  0.1823  0.5055  0.0677  1
  S  S7  4  0.2607  0.0096  0.2523  1
  S  S8  4  0.3130  0.5122  0.3990  1
]