# generated using pymatgen
data_LiBiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82105930
_cell_length_b   6.82105930
_cell_length_c   6.82105930
_cell_angle_alpha   131.98765245
_cell_angle_beta   131.98765245
_cell_angle_gamma   70.24852920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBiS2
_chemical_formula_sum   'Li2 Bi2 S4'
_cell_volume   171.85244388
_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  1  -0.00000000  -0.00000000  -0.00000000  1
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1
  Bi  Bi2  1  0.25000000  0.75000000  0.50000000  1
  Bi  Bi3  1  0.50000000  0.50000000  -0.00000000  1
  S  S4  1  0.99782496  0.49782496  0.50000000  1
  S  S5  1  0.75217504  0.75217504  0.00000000  1
  S  S6  1  0.50217504  0.00217504  0.50000000  1
  S  S7  1  0.24782496  0.24782496  -0.00000000  1
