data_[Li3In12Sb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8114]
_cell_length_b [7.8114]
_cell_length_c [19.0454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiIn4SbS8]
_chemical_formula_sum '[Li3 In12 Sb3 S24]'
_cell_volume [1006.4184]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3747  1.0
  In  In1  9  0.1744  0.3489  0.8327  1.0
  In  In2  3  0.0000  0.0000  0.6227  1.0
  Sb  Sb3  3  0.0000  0.0000  0.0078  1.0
  S  S4  9  0.0139  0.5069  0.7545  1.0
  S  S5  9  0.1740  0.3481  0.5767  1.0
  S  S6  3  0.0000  0.0000  0.2442  1.0
  S  S7  3  0.0000  0.0000  0.7588  1.0
]