# generated using pymatgen
data_Li3BiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14167400
_cell_length_b   9.77378400
_cell_length_c   10.10778600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3BiS4
_chemical_formula_sum   'Li12 Bi4 S16'
_cell_volume   705.53538063
_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  0.22773300  0.21582800  0.58773000  1
  Li  Li1  1  0.22773300  0.21582800  0.91227000  1
  Li  Li2  1  0.19148000  0.39170600  0.25000000  1
  Li  Li3  1  0.30852000  0.89170600  0.75000000  1
  Li  Li4  1  0.27226700  0.71582800  0.41227000  1
  Li  Li5  1  0.27226700  0.71582800  0.08773000  1
  Li  Li6  1  0.72773300  0.28417200  0.58773000  1
  Li  Li7  1  0.72773300  0.28417200  0.91227000  1
  Li  Li8  1  0.69148000  0.10829400  0.25000000  1
  Li  Li9  1  0.80852000  0.60829400  0.75000000  1
  Li  Li10  1  0.77226700  0.78417200  0.08773000  1
  Li  Li11  1  0.77226700  0.78417200  0.41227000  1
  Bi  Bi12  1  0.24834500  0.01829400  0.25000000  1
  Bi  Bi13  1  0.25165500  0.51829400  0.75000000  1
  Bi  Bi14  1  0.74834500  0.48170600  0.25000000  1
  Bi  Bi15  1  0.75165500  0.98170600  0.75000000  1
  S  S16  1  0.00580200  0.80517200  0.75000000  1
  S  S17  1  0.14259000  0.48352900  0.47839100  1
  S  S18  1  0.14259000  0.48352900  0.02160900  1
  S  S19  1  0.03766600  0.80117300  0.25000000  1
  S  S20  1  0.46233400  0.30117300  0.75000000  1
  S  S21  1  0.35741000  0.98352900  0.97839100  1
  S  S22  1  0.35741000  0.98352900  0.52160900  1
  S  S23  1  0.49419800  0.30517200  0.25000000  1
  S  S24  1  0.50580200  0.69482800  0.75000000  1
  S  S25  1  0.64259000  0.01647100  0.47839100  1
  S  S26  1  0.64259000  0.01647100  0.02160900  1
  S  S27  1  0.53766600  0.69882700  0.25000000  1
  S  S28  1  0.96233400  0.19882700  0.75000000  1
  S  S29  1  0.85741000  0.51647100  0.97839100  1
  S  S30  1  0.85741000  0.51647100  0.52160900  1
  S  S31  1  0.99419800  0.19482800  0.25000000  1
