# generated using pymatgen
data_BiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04410761
_cell_length_b   8.18876271
_cell_length_c   9.55481374
_cell_angle_alpha   81.72548635
_cell_angle_beta   77.75559453
_cell_angle_gamma   75.71312037
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiS2
_chemical_formula_sum   'Bi4 S8'
_cell_volume   298.25362566
_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
  Bi  Bi0  1  0.29973687  0.30165886  0.09883325  1.0
  Bi  Bi1  1  0.39096881  0.82345531  0.39378443  1.0
  Bi  Bi2  1  0.60899179  0.17654257  0.60628240  1.0
  Bi  Bi3  1  0.70032573  0.69833806  0.90110324  1.0
  S  S4  1  0.34176794  0.47144180  0.84449914  1.0
  S  S5  1  0.78876785  0.07254683  0.34981905  1.0
  S  S6  1  0.92187687  0.61704858  0.53835568  1.0
  S  S7  1  0.21120926  0.92742914  0.65023373  1.0
  S  S8  1  0.03501284  0.87809230  0.05065399  1.0
  S  S9  1  0.07805618  0.38295831  0.46173014  1.0
  S  S10  1  0.65826357  0.52855461  0.15545372  1.0
  S  S11  1  0.96502429  0.12192263  0.94926322  1.0