data_[Li3In12Bi3S24]
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
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.8053]
_cell_length_b [7.8053]
_cell_length_c [19.2679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiIn4BiS8]
_chemical_formula_sum '[Li3 In12 Bi3 S24]'
_cell_volume [1016.5894]
_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  0.3744  1.0
  In  In1  9  0.1753  0.3505  0.8320  1.0
  In  In2  3  0.0000  0.0000  0.6240  1.0
  Bi  Bi3  3  0.0000  0.0000  0.0064  1.0
  S  S4  9  0.0076  0.5038  0.7569  1.0
  S  S5  9  0.1734  0.3468  0.5754  1.0
  S  S6  3  0.0000  0.0000  0.2437  1.0
  S  S7  3  0.0000  0.0000  0.7586  1.0
]