# generated using pymatgen
data_BiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89545514
_cell_length_b   6.89545514
_cell_length_c   6.89545514
_cell_angle_alpha   121.73703314
_cell_angle_beta   121.73703314
_cell_angle_gamma   87.01681228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiS2
_chemical_formula_sum   'Bi2 S4'
_cell_volume   225.41313396
_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
  Bi  Bi0  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi1  1  0.75000000  0.25000000  0.50000000  1.0
  S  S2  1  0.64113000  0.62500000  0.51613000  1.0
  S  S3  1  0.37500000  0.89113000  0.01613000  1.0
  S  S4  1  0.10887000  0.12500000  0.48387000  1.0
  S  S5  1  0.87500000  0.35887000  0.98387000  1.0