data_[Li6Sb8S16]
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 [C2/m]
_cell_length_a [10.7825]
_cell_length_b [11.0765]
_cell_length_c [7.6453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.6069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(SbS2)4]
_chemical_formula_sum '[Li6 Sb8 S16]'
_cell_volume [650.0676]
_cell_formula_units_Z [2]
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  0.2500  0.2500  0.5000  1.0
  Li  Li1  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb2  4  0.2500  0.2500  0.0000  1.0
  Sb  Sb3  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.0000  0.2407  0.0000  1.0
  S  S6  4  0.0000  0.2513  0.5000  1.0
  S  S7  4  0.2344  0.0000  0.4761  1.0
  S  S8  4  0.2463  0.0000  0.9889  1.0
]