# generated using pymatgen
data_Li3BiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.42914600
_cell_length_b   4.01150500
_cell_length_c   12.17459146
_cell_angle_alpha   76.03382919
_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   589.07554674
_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  0.45806200  0.87923300  0.61914600  1
  Li  Li1  1  0.96976400  0.77510900  0.60507900  1
  Li  Li2  1  0.21923000  0.48860100  0.02600100  1
  Li  Li3  1  0.04193800  0.87923300  0.11914600  1
  Li  Li4  1  0.53023600  0.77510900  0.10507900  1
  Li  Li5  1  0.71923000  0.51139900  0.47399900  1
  Li  Li6  1  0.28077000  0.48860100  0.52600100  1
  Li  Li7  1  0.46976400  0.22489100  0.89492100  1
  Li  Li8  1  0.95806200  0.12076700  0.88085400  1
  Li  Li9  1  0.78077000  0.51139900  0.97399900  1
  Li  Li10  1  0.03023600  0.22489100  0.39492100  1
  Li  Li11  1  0.54193800  0.12076700  0.38085400  1
  Bi  Bi12  1  0.70693100  0.11651400  0.75096200  1
  Bi  Bi13  1  0.79306900  0.11651400  0.25096200  1
  Bi  Bi14  1  0.20693100  0.88348600  0.74903800  1
  Bi  Bi15  1  0.29306900  0.88348600  0.24903800  1
  S  S16  1  0.64638800  0.93160200  0.56924300  1
  S  S17  1  0.59382700  0.70111200  0.90844900  1
  S  S18  1  0.85361200  0.93160200  0.06924300  1
  S  S19  1  0.87634600  0.70395400  0.78809900  1
  S  S20  1  0.90617300  0.70111200  0.40844900  1
  S  S21  1  0.62365400  0.70395400  0.28809900  1
  S  S22  1  0.37634600  0.29604600  0.71190100  1
  S  S23  1  0.09382700  0.29888800  0.59155100  1
  S  S24  1  0.12365400  0.29604600  0.21190100  1
  S  S25  1  0.14638800  0.06839800  0.93075700  1
  S  S26  1  0.40617300  0.29888800  0.09155100  1
  S  S27  1  0.35361200  0.06839800  0.43075700  1
