data_[Li8Ga2Bi6S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  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 [13.3296]
_cell_length_b [7.7910]
_cell_length_c [7.7442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li4GaBi3S8]
_chemical_formula_sum '[Li8 Ga2 Bi6 S16]'
_cell_volume [659.5741]
_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  0.0000  1.0
  Li  Li2  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga3  2  0.0000  0.0000  0.5000  1.0
  Bi  Bi4  4  0.2500  0.2500  0.0000  1.0
  Bi  Bi5  2  0.0000  0.5000  0.5000  1.0
  S  S6  8  0.0070  0.2249  0.2696  1.0
  S  S7  4  0.2433  0.0000  0.2552  1.0
  S  S8  4  0.2436  0.0000  0.7317  1.0
]