data_[Li8Bi4B4S16]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.0339]
_cell_length_b [11.5741]
_cell_length_c [7.8140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4143]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2BiBS4]
_chemical_formula_sum '[Li8 Bi4 B4 S16]'
_cell_volume [701.0847]
_cell_formula_units_Z [4]
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  0.0000  0.5000  0.0000  1
  Li  Li1  4  0.2500  0.2500  0.0000  1
  Bi  Bi2  4  0.2500  0.2500  0.5000  1
  B  B3  4  0.0000  0.0000  0.0000  1
  S  S4  8  0.0349  0.2953  0.0353  1
  S  S5  8  0.1878  0.0019  0.0437  1
]