# generated using pymatgen
data_Nb6Al8Ni3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71657577
_cell_length_b   8.75698971
_cell_length_c   8.14330215
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.04384147
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb6Al8Ni3Ir
_chemical_formula_sum   'Nb12 Al16 Ni6 Ir2'
_cell_volume   532.55816472
_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  0.33027330  0.99382845  0.06519917  1.0
  Nb  Nb1  1  0.66972670  0.00617155  0.93480083  1.0
  Nb  Nb2  1  0.99692531  0.33095319  0.06762577  1.0
  Nb  Nb3  1  0.66972670  0.00617155  0.56519917  1.0
  Nb  Nb4  1  0.99692531  0.33095319  0.43237423  1.0
  Nb  Nb5  1  0.00307469  0.66904681  0.93237423  1.0
  Nb  Nb6  1  0.33027330  0.99382845  0.43480083  1.0
  Nb  Nb7  1  0.00307469  0.66904681  0.56762577  1.0
  Nb  Nb8  1  0.66675539  0.66329723  0.06792334  1.0
  Nb  Nb9  1  0.33324461  0.33670277  0.93207666  1.0
  Nb  Nb10  1  0.33324461  0.33670277  0.56792334  1.0
  Nb  Nb11  1  0.66675539  0.66329723  0.43207666  1.0
  Al  Al12  1  0.34503962  0.84633243  0.75000000  1.0
  Al  Al13  1  0.65198806  0.50402193  0.75000000  1.0
  Al  Al14  1  0.65496038  0.15366757  0.25000000  1.0
  Al  Al15  1  0.34801194  0.49597807  0.25000000  1.0
  Al  Al16  1  0.84351653  0.34129076  0.75000000  1.0
  Al  Al17  1  0.15648347  0.65870924  0.25000000  1.0
  Al  Al18  1  0.34146174  0.66463819  0.50737530  1.0
  Al  Al19  1  0.65853826  0.33536181  0.49262470  1.0
  Al  Al20  1  0.65853826  0.33536181  0.00737530  1.0
  Al  Al21  1  0.34146174  0.66463819  0.99262470  1.0
  Al  Al22  1  0.18277068  0.01193584  0.75000000  1.0
  Al  Al23  1  0.81722932  0.98806416  0.25000000  1.0
  Al  Al24  1  0.01100881  0.18358125  0.75000000  1.0
  Al  Al25  1  0.98899119  0.81641875  0.25000000  1.0
  Al  Al26  1  0.82239404  0.83425799  0.75000000  1.0
  Al  Al27  1  0.17760596  0.16574201  0.25000000  1.0
  Ni  Ni28  1  0.16718914  0.50130913  0.75000000  1.0
  Ni  Ni29  1  0.83281086  0.49869087  0.25000000  1.0
  Ni  Ni30  1  0.50659286  0.67449597  0.75000000  1.0
  Ni  Ni31  1  0.50548510  0.17393578  0.75000000  1.0
  Ni  Ni32  1  0.49340714  0.32550403  0.25000000  1.0
  Ni  Ni33  1  0.49451490  0.82606422  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