# generated using pymatgen
data_Nb3(Al2Au)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98812550
_cell_length_b   9.03582484
_cell_length_c   8.34370402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.84974633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3(Al2Au)2
_chemical_formula_sum   'Nb12 Al16 Au8'
_cell_volume   581.75980016
_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  0.32732045  0.98571216  0.06329011  1.0
  Nb  Nb1  1  0.67267955  0.01428784  0.93670989  1.0
  Nb  Nb2  1  0.99654712  0.32806815  0.06952448  1.0
  Nb  Nb3  1  0.67267955  0.01428784  0.56329011  1.0
  Nb  Nb4  1  0.99654712  0.32806815  0.43047552  1.0
  Nb  Nb5  1  0.00345288  0.67193185  0.93047552  1.0
  Nb  Nb6  1  0.32732045  0.98571216  0.43670989  1.0
  Nb  Nb7  1  0.00345288  0.67193185  0.56952448  1.0
  Nb  Nb8  1  0.66479133  0.65781778  0.06545339  1.0
  Nb  Nb9  1  0.33520867  0.34218222  0.93454661  1.0
  Nb  Nb10  1  0.33520867  0.34218222  0.56545339  1.0
  Nb  Nb11  1  0.66479133  0.65781778  0.43454661  1.0
  Al  Al12  1  0.33797697  0.84486677  0.75000000  1.0
  Al  Al13  1  0.66467532  0.50856872  0.75000000  1.0
  Al  Al14  1  0.66202303  0.15513323  0.25000000  1.0
  Al  Al15  1  0.33532468  0.49143128  0.25000000  1.0
  Al  Al16  1  0.84006345  0.33626534  0.75000000  1.0
  Al  Al17  1  0.15993655  0.66373466  0.25000000  1.0
  Al  Al18  1  0.33557830  0.66417216  0.50378883  1.0
  Al  Al19  1  0.66442170  0.33582784  0.49621117  1.0
  Al  Al20  1  0.66442170  0.33582784  0.00378883  1.0
  Al  Al21  1  0.33557830  0.66417216  0.99621117  1.0
  Al  Al22  1  0.17788130  0.00733997  0.75000000  1.0
  Al  Al23  1  0.82211870  0.99266003  0.25000000  1.0
  Al  Al24  1  0.00157827  0.17489412  0.75000000  1.0
  Al  Al25  1  0.99842173  0.82510588  0.25000000  1.0
  Al  Al26  1  0.83201512  0.83096327  0.75000000  1.0
  Al  Al27  1  0.16798488  0.16903673  0.25000000  1.0
  Au  Au28  1  0.00000000  0.00000000  0.50000000  1.0
  Au  Au29  1  0.00000000  0.00000000  0.00000000  1.0
  Au  Au30  1  0.15708342  0.49513990  0.75000000  1.0
  Au  Au31  1  0.84291658  0.50486010  0.25000000  1.0
  Au  Au32  1  0.51717793  0.68216961  0.75000000  1.0
  Au  Au33  1  0.50042195  0.17086306  0.75000000  1.0
  Au  Au34  1  0.48282207  0.31783039  0.25000000  1.0
  Au  Au35  1  0.49957805  0.82913694  0.25000000  1.0