# generated using pymatgen
data_Nb6Al8Cu3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74915274
_cell_length_b   8.82423507
_cell_length_c   8.18587162
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.02948048
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Al8Cu3Ir
_chemical_formula_sum   'Nb12 Al16 Cu6 Ir2'
_cell_volume   541.55085576
_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  0.32916944  0.99126467  0.06662853  1.0
  Nb  Nb1  1  0.67083056  0.00873533  0.93337147  1.0
  Nb  Nb2  1  0.99690870  0.33133441  0.06850956  1.0
  Nb  Nb3  1  0.67083056  0.00873533  0.56662853  1.0
  Nb  Nb4  1  0.99690870  0.33133441  0.43149044  1.0
  Nb  Nb5  1  0.00309130  0.66866559  0.93149044  1.0
  Nb  Nb6  1  0.32916944  0.99126467  0.43337147  1.0
  Nb  Nb7  1  0.00309130  0.66866559  0.56850956  1.0
  Nb  Nb8  1  0.66802898  0.66419386  0.06675719  1.0
  Nb  Nb9  1  0.33197102  0.33580614  0.93324281  1.0
  Nb  Nb10  1  0.33197102  0.33580614  0.56675719  1.0
  Nb  Nb11  1  0.66802898  0.66419386  0.43324281  1.0
  Al  Al12  1  0.34410979  0.84742818  0.75000000  1.0
  Al  Al13  1  0.65355606  0.50504045  0.75000000  1.0
  Al  Al14  1  0.65589021  0.15257182  0.25000000  1.0
  Al  Al15  1  0.34644394  0.49495955  0.25000000  1.0
  Al  Al16  1  0.84511393  0.34255813  0.75000000  1.0
  Al  Al17  1  0.15488607  0.65744187  0.25000000  1.0
  Al  Al18  1  0.34058765  0.66546690  0.50552478  1.0
  Al  Al19  1  0.65941235  0.33453310  0.49447522  1.0
  Al  Al20  1  0.65941235  0.33453310  0.00552478  1.0
  Al  Al21  1  0.34058765  0.66546690  0.99447522  1.0
  Al  Al22  1  0.17871441  0.00952339  0.75000000  1.0
  Al  Al23  1  0.82128559  0.99047661  0.25000000  1.0
  Al  Al24  1  0.00911544  0.17985131  0.75000000  1.0
  Al  Al25  1  0.99088456  0.82014869  0.25000000  1.0
  Al  Al26  1  0.82479062  0.83473682  0.75000000  1.0
  Al  Al27  1  0.17520938  0.16526318  0.25000000  1.0
  Cu  Cu28  1  0.16909442  0.50111464  0.75000000  1.0
  Cu  Cu29  1  0.83090558  0.49888536  0.25000000  1.0
  Cu  Cu30  1  0.50488402  0.67209216  0.75000000  1.0
  Cu  Cu31  1  0.50316031  0.17172492  0.75000000  1.0
  Cu  Cu32  1  0.49511598  0.32790784  0.25000000  1.0
  Cu  Cu33  1  0.49683969  0.82827508  0.25000000  1.0
  Ir  Ir34  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir35  1  0.00000000  0.00000000  0.00000000  1.0