# generated using pymatgen
data_Nb6SI9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.35728132
_cell_length_b   10.81622023
_cell_length_c   11.97062483
_cell_angle_alpha   106.06689346
_cell_angle_beta   104.70887073
_cell_angle_gamma   112.83168648
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6SI9
_chemical_formula_sum   'Nb12 S2 I18'
_cell_volume   1084.35866492
_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  0.61113931  0.73849408  0.03997711  1.0
  Nb  Nb1  1  0.10213164  0.97549806  0.67362084  1.0
  Nb  Nb2  1  0.98355079  0.14803366  0.59042518  1.0
  Nb  Nb3  1  0.76634444  0.84611802  0.47166628  1.0
  Nb  Nb4  1  0.01644921  0.85196634  0.40957482  1.0
  Nb  Nb5  1  0.47878497  0.55853214  0.18498737  1.0
  Nb  Nb6  1  0.32073648  0.48498396  0.92778876  1.0
  Nb  Nb7  1  0.89786836  0.02450194  0.32637916  1.0
  Nb  Nb8  1  0.23365556  0.15388198  0.52833372  1.0
  Nb  Nb9  1  0.38886069  0.26150592  0.96002289  1.0
  Nb  Nb10  1  0.67926352  0.51501604  0.07221124  1.0
  Nb  Nb11  1  0.52121503  0.44146786  0.81501263  1.0
  S  S12  1  0.25901359  0.24430023  0.74944669  1.0
  S  S13  1  0.74098641  0.75569977  0.25055331  1.0
  I  I14  1  0.32218722  0.94129032  0.57522339  1.0
  I  I15  1  0.57507585  0.34778106  0.21883609  1.0
  I  I16  1  0.10700709  0.33436445  0.46395823  1.0
  I  I17  1  0.17447585  0.31188521  0.05591122  1.0
  I  I18  1  0.82552415  0.68811479  0.94408878  1.0
  I  I19  1  0.24295134  0.94821314  0.90198196  1.0
  I  I20  1  0.89299291  0.66563555  0.53604177  1.0
  I  I21  1  0.54280707  0.35581938  0.57209749  1.0
  I  I22  1  -0.00637068  0.58266249  0.22785673  1.0
  I  I23  1  0.75704866  0.05178686  0.09801804  1.0
  I  I24  1  0.36906559  0.74872339  0.11720705  1.0
  I  I25  1  0.67781278  0.05870968  0.42477661  1.0
  I  I26  1  0.00637068  0.41733751  0.77214327  1.0
  I  I27  1  0.85682321  0.99574429  0.73906371  1.0
  I  I28  1  0.45719293  0.64418062  0.42790251  1.0
  I  I29  1  0.14317679  0.00425571  0.26093629  1.0
  I  I30  1  0.42492415  0.65221894  0.78116391  1.0
  I  I31  1  0.63093441  0.25127661  0.88279295  1.0