# generated using pymatgen
data_Nb6Al6Cu5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71070737
_cell_length_b   8.70986955
_cell_length_c   8.07096842
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.44784806
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Al6Cu5Ir
_chemical_formula_sum   'Nb12 Al12 Cu10 Ir2'
_cell_volume   527.89034810
_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  0.33047505  0.99612625  0.06812067  1.0
  Nb  Nb1  1  0.66952495  0.00387375  0.93187933  1.0
  Nb  Nb2  1  0.99700929  0.33223302  0.06695114  1.0
  Nb  Nb3  1  0.66952495  0.00387375  0.56812067  1.0
  Nb  Nb4  1  0.99700929  0.33223302  0.43304886  1.0
  Nb  Nb5  1  0.00299071  0.66776698  0.93304886  1.0
  Nb  Nb6  1  0.33047505  0.99612625  0.43187933  1.0
  Nb  Nb7  1  0.00299071  0.66776698  0.56695114  1.0
  Nb  Nb8  1  0.66491512  0.66538130  0.06806827  1.0
  Nb  Nb9  1  0.33508488  0.33461870  0.93193173  1.0
  Nb  Nb10  1  0.33508488  0.33461870  0.56806827  1.0
  Nb  Nb11  1  0.66491512  0.66538130  0.43193173  1.0
  Al  Al12  1  0.84212445  0.34282294  0.75000000  1.0
  Al  Al13  1  0.15787555  0.65717706  0.25000000  1.0
  Al  Al14  1  0.34009242  0.66703582  0.50758176  1.0
  Al  Al15  1  0.65990758  0.33296418  0.49241824  1.0
  Al  Al16  1  0.65990758  0.33296418  0.00758176  1.0
  Al  Al17  1  0.34009242  0.66703582  0.99241824  1.0
  Al  Al18  1  0.18310869  0.00046352  0.75000000  1.0
  Al  Al19  1  0.81689131  0.99953648  0.25000000  1.0
  Al  Al20  1  0.00802403  0.17694148  0.75000000  1.0
  Al  Al21  1  0.99197597  0.82305852  0.25000000  1.0
  Al  Al22  1  0.82204404  0.81855991  0.75000000  1.0
  Al  Al23  1  0.17795596  0.18144009  0.25000000  1.0
  Cu  Cu24  1  0.16569206  0.49693347  0.75000000  1.0
  Cu  Cu25  1  0.83430794  0.50306653  0.25000000  1.0
  Cu  Cu26  1  0.50617442  0.66643998  0.75000000  1.0
  Cu  Cu27  1  0.50265190  0.16554090  0.75000000  1.0
  Cu  Cu28  1  0.49382558  0.33356002  0.25000000  1.0
  Cu  Cu29  1  0.49734810  0.83445910  0.25000000  1.0
  Cu  Cu30  1  0.33721498  0.83869358  0.75000000  1.0
  Cu  Cu31  1  0.66551992  0.49984958  0.75000000  1.0
  Cu  Cu32  1  0.66278502  0.16130642  0.25000000  1.0
  Cu  Cu33  1  0.33448008  0.50015042  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