# generated using pymatgen
data_Nb9IrS20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81921700
_cell_length_b   9.36587046
_cell_length_c   11.00042567
_cell_angle_alpha   80.99083132
_cell_angle_beta   81.33983469
_cell_angle_gamma   68.97887112
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb9IrS20
_chemical_formula_sum   'Nb9 Ir1 S20'
_cell_volume   644.32132918
_cell_formula_units_Z   1
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  0.50000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.70735800  0.40163000  0.39696100  1.0
  Nb  Nb2  1  0.56947400  0.21453100  0.22262800  1.0
  Nb  Nb3  1  0.29264200  0.59837000  0.60303900  1.0
  Nb  Nb4  1  0.19158300  0.41078500  0.41281000  1.0
  Nb  Nb5  1  0.90275000  0.81678000  0.81944000  1.0
  Nb  Nb6  1  0.09725000  0.18322000  0.18056000  1.0
  Nb  Nb7  1  0.80841700  0.58921500  0.58719000  1.0
  Nb  Nb8  1  0.43052600  0.78546900  0.77737200  1.0
  Ir  Ir9  1  0.00000000  0.00000000  0.00000000  1.0
  S  S10  1  0.25410000  0.06236100  0.84127100  1.0
  S  S11  1  0.84060400  0.26695800  0.03744500  1.0
  S  S12  1  0.64988400  0.72446100  0.95821600  1.0
  S  S13  1  0.75655300  0.08724800  0.84074200  1.0
  S  S14  1  0.24344700  0.91275200  0.15925800  1.0
  S  S15  1  0.44542700  0.48506500  0.24031000  1.0
  S  S16  1  0.04948800  0.68584600  0.43466100  1.0
  S  S17  1  0.15939600  0.73304200  0.96255500  1.0
  S  S18  1  0.35011600  0.27553900  0.04178400  1.0
  S  S19  1  0.84562100  0.12364900  0.36237800  1.0
  S  S20  1  0.74590000  0.93763900  0.15872900  1.0
  S  S21  1  0.95661200  0.46671000  0.23890800  1.0
  S  S22  1  0.66983100  0.87443600  0.63597300  1.0
  S  S23  1  0.44887900  0.32245800  0.56424800  1.0
  S  S24  1  0.55112100  0.67754200  0.43575200  1.0
  S  S25  1  0.33016900  0.12556400  0.36402700  1.0
  S  S26  1  0.04338800  0.53329000  0.76109200  1.0
  S  S27  1  0.15437900  0.87635100  0.63762200  1.0
  S  S28  1  0.95051200  0.31415400  0.56533900  1.0
  S  S29  1  0.55457300  0.51493500  0.75969000  1.0