# generated using pymatgen
data_Nb3(Al2Ni)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68454569
_cell_length_b   8.73406183
_cell_length_c   8.06871330
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.02805590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3(Al2Ni)2
_chemical_formula_sum   'Nb12 Al16 Ni8'
_cell_volume   524.45157739
_cell_formula_units_Z   4
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  0.32974102  0.99402185  0.06526957  1.0
  Nb  Nb1  1  0.67025898  0.00597815  0.93473043  1.0
  Nb  Nb2  1  0.99744523  0.32937104  0.06732231  1.0
  Nb  Nb3  1  0.67025898  0.00597815  0.56526957  1.0
  Nb  Nb4  1  0.99744523  0.32937104  0.43267769  1.0
  Nb  Nb5  1  0.00255477  0.67062896  0.93267769  1.0
  Nb  Nb6  1  0.32974102  0.99402185  0.43473043  1.0
  Nb  Nb7  1  0.00255477  0.67062896  0.56732231  1.0
  Nb  Nb8  1  0.66734339  0.66346301  0.06690510  1.0
  Nb  Nb9  1  0.33265661  0.33653699  0.93309490  1.0
  Nb  Nb10  1  0.33265661  0.33653699  0.56690510  1.0
  Nb  Nb11  1  0.66734339  0.66346301  0.43309490  1.0
  Al  Al12  1  0.34451680  0.84732536  0.75000000  1.0
  Al  Al13  1  0.65368696  0.50582893  0.75000000  1.0
  Al  Al14  1  0.65548320  0.15267464  0.25000000  1.0
  Al  Al15  1  0.34631304  0.49417107  0.25000000  1.0
  Al  Al16  1  0.84537366  0.34200492  0.75000000  1.0
  Al  Al17  1  0.15462634  0.65799508  0.25000000  1.0
  Al  Al18  1  0.34158241  0.66518514  0.50732931  1.0
  Al  Al19  1  0.65841759  0.33481486  0.49267069  1.0
  Al  Al20  1  0.65841759  0.33481486  0.00732931  1.0
  Al  Al21  1  0.34158241  0.66518514  0.99267069  1.0
  Al  Al22  1  0.17986735  0.01120761  0.75000000  1.0
  Al  Al23  1  0.82013265  0.98879239  0.25000000  1.0
  Al  Al24  1  0.01007127  0.18065220  0.75000000  1.0
  Al  Al25  1  0.98992873  0.81934780  0.25000000  1.0
  Al  Al26  1  0.82667379  0.83667132  0.75000000  1.0
  Al  Al27  1  0.17332621  0.16332868  0.25000000  1.0
  Ni  Ni28  1  0.16783853  0.50057335  0.75000000  1.0
  Ni  Ni29  1  0.83216147  0.49942665  0.25000000  1.0
  Ni  Ni30  1  0.50792496  0.67446785  0.75000000  1.0
  Ni  Ni31  1  0.50511389  0.17344505  0.75000000  1.0
  Ni  Ni32  1  0.49207504  0.32553215  0.25000000  1.0
  Ni  Ni33  1  0.49488611  0.82655495  0.25000000  1.0
  Ni  Ni34  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni35  1  0.00000000  0.00000000  0.00000000  1.0