# generated using pymatgen
data_Nb3(BiS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79773252
_cell_length_b   5.79772949
_cell_length_c   17.37328901
_cell_angle_alpha   89.99999239
_cell_angle_beta   90.00001602
_cell_angle_gamma   120.00001798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3(BiS3)2
_chemical_formula_sum   'Nb6 Bi4 S12'
_cell_volume   505.74164967
_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
  Nb  Nb0  1  0.67428308  0.99999979  0.75006605  1.0
  Nb  Nb1  1  0.67443486  0.67443465  0.24992962  1.0
  Nb  Nb2  1  1.00000027  0.32556527  0.24992965  1.0
  Nb  Nb3  1  1.00000103  0.67428463  0.75006603  1.0
  Nb  Nb4  1  0.32556319  1.00000018  0.24992967  1.0
  Nb  Nb5  1  0.32571611  0.32571522  0.75006604  1.0
  Bi  Bi6  1  0.33333346  0.66666660  1.00024665  1.0
  Bi  Bi7  1  0.66666685  0.33333312  0.49975021  1.0
  Bi  Bi8  1  0.33333352  0.66666653  0.49975020  1.0
  Bi  Bi9  1  0.66666666  0.33333314  1.00024671  1.0
  S  S10  1  0.33333360  0.66666696  0.66147589  1.0
  S  S11  1  0.66666661  0.33333301  0.16148950  1.0
  S  S12  1  0.66666638  0.33333303  0.83863648  1.0
  S  S13  1  0.33333358  0.66666748  0.33840269  1.0
  S  S14  1  0.33333358  0.66666753  0.16148945  1.0
  S  S15  1  0.66666625  0.33333288  0.66147588  1.0
  S  S16  1  0.66666647  0.33333273  0.33840276  1.0
  S  S17  1  0.33333352  0.66666707  0.83863648  1.0
  S  S18  1  0.99999926  -0.00000003  0.15776264  1.0
  S  S19  1  0.00000061  0.00000016  0.65787015  1.0
  S  S20  1  0.00000054  -0.00000013  0.84228954  1.0
  S  S21  1  -0.00000044  0.00000019  0.34208872  1.0