data_[Li3Bi6Sb3S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9159]
_cell_length_b [6.9159]
_cell_length_c [17.7923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiBi2SbS6]
_chemical_formula_sum '[Li3 Bi6 Sb3 S18]'
_cell_volume [736.9877]
_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  0.8006  1.0
  Bi  Bi1  3  0.0000  0.0000  0.0165  1.0
  Bi  Bi2  3  0.0000  0.0000  0.5248  1.0
  Sb  Sb3  3  0.0000  0.0000  0.3249  1.0
  S  S4  9  0.0029  0.4019  0.5810  1.0
  S  S5  9  0.0318  0.6338  0.0841  1.0
]