# generated using pymatgen
data_BiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.48539602
_cell_length_b   18.24854853
_cell_length_c   12.03039639
_cell_angle_alpha   87.89629169
_cell_angle_beta   58.07859164
_cell_angle_gamma   34.02511668
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiS
_chemical_formula_sum   'Bi12 S12'
_cell_volume   1196.50522646
_cell_formula_units_Z   12
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  0.34948500  0.73484200  0.28310100  1.0
  Bi  Bi1  1  0.50117900  0.91635200  0.13229300  1.0
  Bi  Bi2  1  0.45017600  0.13229300  0.91635200  1.0
  Bi  Bi3  1  0.67363300  0.07335000  0.95950900  1.0
  Bi  Bi4  1  0.26515800  0.65051500  0.36742900  1.0
  Bi  Bi5  1  0.29350900  0.95950900  0.07335000  1.0
  Bi  Bi6  1  0.04049100  0.70649100  0.32636700  1.0
  Bi  Bi7  1  0.86770700  0.54982400  0.49882100  1.0
  Bi  Bi8  1  0.08364800  0.49882100  0.54982400  1.0
  Bi  Bi9  1  0.71689900  0.36742900  0.65051500  1.0
  Bi  Bi10  1  0.92665000  0.32636700  0.70649100  1.0
  Bi  Bi11  1  0.63257100  0.28310100  0.73484200  1.0
  S  S12  1  0.74356500  0.15411400  0.86360300  1.0
  S  S13  1  0.41643000  0.84859600  0.18857900  1.0
  S  S14  1  0.23871800  0.86360300  0.15411400  1.0
  S  S15  1  0.13639700  0.76128200  0.25643500  1.0
  S  S16  1  0.15140400  0.58357000  0.45360600  1.0
  S  S17  1  0.84588600  0.25643500  0.76128200  1.0
  S  S18  1  0.56820600  0.01099100  0.03909900  1.0
  S  S19  1  0.38170400  0.03909900  0.01099100  1.0
  S  S20  1  0.81142100  0.45360600  0.58357000  1.0
  S  S21  1  0.54639400  0.18857900  0.84859600  1.0
  S  S22  1  0.98900900  0.43179400  0.61829600  1.0
  S  S23  1  0.96090100  0.61829600  0.43179400  1.0