# generated using pymatgen
data_Nb5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82502644
_cell_length_b   5.82502644
_cell_length_c   25.38697557
_cell_angle_alpha   90.00000232
_cell_angle_beta   90.00000232
_cell_angle_gamma   119.99998991
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5S8
_chemical_formula_sum   'Nb15 S24'
_cell_volume   745.99762215
_cell_formula_units_Z   3
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  0.33333300  0.66666700  0.37545754  1.0
  Nb  Nb1  1  0.33333400  0.66666700  0.87741107  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.37374301  1.0
  Nb  Nb3  1  -0.00000000  -0.00000000  0.87645214  1.0
  Nb  Nb4  1  0.00000000  0.99999900  0.12358779  1.0
  Nb  Nb5  1  -0.00000000  -0.00000000  0.62621734  1.0
  Nb  Nb6  1  0.33333300  0.66666600  0.62450729  1.0
  Nb  Nb7  1  0.33333400  0.66666700  0.12262668  1.0
  Nb  Nb8  1  0.66666700  0.33333300  0.37466668  1.0
  Nb  Nb9  1  0.66666700  0.33333300  0.87643697  1.0
  Nb  Nb10  1  0.66666700  0.33333300  0.62530260  1.0
  Nb  Nb11  1  0.66666700  0.33333400  0.12358638  1.0
  Nb  Nb12  1  0.33333300  0.66666700  0.24838186  1.0
  Nb  Nb13  1  0.33333300  0.66666700  0.75164414  1.0
  Nb  Nb14  1  -0.00000000  -0.00000000  0.49997478  1.0
  S  S15  1  0.66574588  0.66675768  0.18604681  1.0
  S  S16  1  0.66643637  0.66502992  0.68742489  1.0
  S  S17  1  0.33324232  -0.00101079  0.18604581  1.0
  S  S18  1  0.33497008  0.00140645  0.68742489  1.0
  S  S19  1  0.00101179  0.33425412  0.18604581  1.0
  S  S20  1  0.99859355  0.33356363  0.68742489  1.0
  S  S21  1  0.66704843  0.66575661  0.56332543  1.0
  S  S22  1  0.66809916  0.66665998  0.06249269  1.0
  S  S23  1  0.99870818  0.33295157  0.56332543  1.0
  S  S24  1  0.99856082  0.33190184  0.06249269  1.0
  S  S25  1  0.33424339  0.00129182  0.56332543  1.0
  S  S26  1  0.33334102  0.00143918  0.06249269  1.0
  S  S27  1  0.66707029  0.00130074  0.43663833  1.0
  S  S28  1  0.66809352  0.00143752  0.93751427  1.0
  S  S29  1  0.99869926  0.66576855  0.43663833  1.0
  S  S30  1  0.99856248  0.66665600  0.93751427  1.0
  S  S31  1  0.33423045  0.33292971  0.43663833  1.0
  S  S32  1  0.33334400  0.33190648  0.93751427  1.0
  S  S33  1  0.66642900  0.00140970  0.31256283  1.0
  S  S34  1  0.66574618  -0.00101304  0.81399598  1.0
  S  S35  1  0.33498071  0.33357200  0.31256283  1.0
  S  S36  1  0.33324178  0.33425382  0.81399598  1.0
  S  S37  1  0.99859030  0.66501929  0.31256283  1.0
  S  S38  1  0.00101304  0.66675922  0.81399598  1.0