data_[Li6Bi8S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0682]
_cell_length_b [11.3242]
_cell_length_c [7.8104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4763]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(BiS2)4]
_chemical_formula_sum '[Li6 Bi8 S16]'
_cell_volume [698.5161]
_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
  Bi  Bi2  4  0.2500  0.2500  0.0000  1.0
  Bi  Bi3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.0000  0.2446  0.0000  1.0
  S  S6  4  0.0000  0.2497  0.5000  1.0
  S  S7  4  0.2370  0.0000  0.4841  1.0
  S  S8  4  0.2478  0.0000  0.9866  1.0
]