data_[Li3In12Sn3S24]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.7974]
_cell_length_b [7.7974]
_cell_length_c [18.8558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiIn4SnS8]
_chemical_formula_sum '[Li3 In12 Sn3 S24]'
_cell_volume [992.8364]
_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  0.3745  1.0
  In  In1  9  0.1744  0.3489  0.8318  1.0
  In  In2  3  0.0000  0.0000  0.6226  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0065  1.0
  S  S4  9  0.0135  0.5068  0.7530  1.0
  S  S5  9  0.1777  0.3553  0.5797  1.0
  S  S6  3  0.0000  0.0000  0.2438  1.0
  S  S7  3  0.0000  0.0000  0.7594  1.0
]