# generated using pymatgen
data_Li3BiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13921300
_cell_length_b   8.13921300
_cell_length_c   8.13921300
_cell_angle_alpha   90.00000000
_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   539.19672021
_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  0.03075500  0.96924500  0.46924500  1
  Li  Li1  1  0.17928100  0.67928100  0.82071900  1
  Li  Li2  1  0.20407700  0.29592300  0.70407700  1
  Li  Li3  1  0.29592300  0.70407700  0.20407700  1
  Li  Li4  1  0.32071900  0.32071900  0.32071900  1
  Li  Li5  1  0.46924500  0.03075500  0.96924500  1
  Li  Li6  1  0.53075500  0.53075500  0.53075500  1
  Li  Li7  1  0.67928100  0.82071900  0.17928100  1
  Li  Li8  1  0.70407700  0.20407700  0.29592300  1
  Li  Li9  1  0.79592300  0.79592300  0.79592300  1
  Li  Li10  1  0.82071900  0.17928100  0.67928100  1
  Li  Li11  1  0.96924500  0.46924500  0.03075500  1
  Bi  Bi12  1  0.07551500  0.07551500  0.07551500  1
  Bi  Bi13  1  0.42448500  0.92448500  0.57551500  1
  Bi  Bi14  1  0.57551500  0.42448500  0.92448500  1
  Bi  Bi15  1  0.92448500  0.57551500  0.42448500  1
  S  S16  1  0.99415200  0.74860800  0.12299600  1
  S  S17  1  0.12299600  0.99415200  0.74860800  1
  S  S18  1  0.25139200  0.62299600  0.50584800  1
  S  S19  1  0.24860800  0.37700400  0.00584800  1
  S  S20  1  0.37700400  0.00584800  0.24860800  1
  S  S21  1  0.50584800  0.25139200  0.62299600  1
  S  S22  1  0.49415200  0.75139200  0.87700400  1
  S  S23  1  0.62299600  0.50584800  0.25139200  1
  S  S24  1  0.75139200  0.87700400  0.49415200  1
  S  S25  1  0.74860800  0.12299600  0.99415200  1
  S  S26  1  0.87700400  0.49415200  0.75139200  1
  S  S27  1  0.00584800  0.24860800  0.37700400  1
