# generated using pymatgen
data_Li3BiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.14134400
_cell_length_b   5.87639500
_cell_length_c   8.34867215
_cell_angle_alpha   46.12116467
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3BiS3
_chemical_formula_sum   'Li12 Bi4 S12'
_cell_volume   570.80424840
_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  1  0.69171200  0.35895700  0.17617500  1
  Li  Li1  1  0.42929300  0.70776200  0.09250400  1
  Li  Li2  1  0.92929300  0.29223800  0.40749600  1
  Li  Li3  1  0.19171200  0.64104300  0.32382500  1
  Li  Li4  1  0.68860500  0.79404400  0.23204600  1
  Li  Li5  1  0.18860500  0.20595600  0.26795400  1
  Li  Li6  1  0.81139500  0.79404400  0.73204600  1
  Li  Li7  1  0.31139500  0.20595600  0.76795400  1
  Li  Li8  1  0.80828800  0.35895700  0.67617500  1
  Li  Li9  1  0.07070700  0.70776200  0.59250400  1
  Li  Li10  1  0.57070700  0.29223800  0.90749600  1
  Li  Li11  1  0.30828800  0.64104300  0.82382500  1
  Bi  Bi12  1  0.91185100  0.13718500  0.08717700  1
  Bi  Bi13  1  0.41185100  0.86281500  0.41282300  1
  Bi  Bi14  1  0.58814900  0.13718500  0.58717700  1
  Bi  Bi15  1  0.08814900  0.86281500  0.91282300  1
  S  S16  1  0.91048800  0.77587400  0.99316000  1
  S  S17  1  0.25383500  0.70682000  0.04167200  1
  S  S18  1  0.41808800  0.25100300  0.97782400  1
  S  S19  1  0.75383500  0.29318000  0.45832800  1
  S  S20  1  0.91808800  0.74899700  0.52217600  1
  S  S21  1  0.41048800  0.22412600  0.50684000  1
  S  S22  1  0.58951200  0.77587400  0.49316000  1
  S  S23  1  0.08191200  0.25100300  0.47782400  1
  S  S24  1  0.24616500  0.70682000  0.54167200  1
  S  S25  1  0.58191200  0.74899700  0.02217600  1
  S  S26  1  0.74616500  0.29318000  0.95832800  1
  S  S27  1  0.08951200  0.22412600  0.00684000  1
