# generated using pymatgen
data_NdHf3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45847495
_cell_length_b   7.44427155
_cell_length_c   9.23797342
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.69303384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdHf3(Al3Ir)6
_chemical_formula_sum   'Nd1 Hf3 Al18 Ir6'
_cell_volume   445.56866967
_cell_formula_units_Z   1
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
  Nd  Nd0  1  0.32934837  0.00704491  0.75000000  1.0
  Hf  Hf1  1  0.99285895  0.67245302  0.25000000  1.0
  Hf  Hf2  1  0.00652926  0.32901707  0.75000000  1.0
  Hf  Hf3  1  0.67325183  0.99400558  0.25000000  1.0
  Al  Al4  1  0.12356401  0.12545633  0.25000000  1.0
  Al  Al5  1  0.86863574  0.87468796  0.75000000  1.0
  Al  Al6  1  0.99784067  0.33503092  0.07813307  1.0
  Al  Al7  1  0.99790480  0.66159420  0.92860929  1.0
  Al  Al8  1  0.99790480  0.66159420  0.57139071  1.0
  Al  Al9  1  0.33542679  0.99829709  0.41703165  1.0
  Al  Al10  1  0.99784067  0.33503092  0.42186693  1.0
  Al  Al11  1  0.66886748  0.00109799  0.57149549  1.0
  Al  Al12  1  0.66886748  0.00109799  0.92850451  1.0
  Al  Al13  1  0.33542679  0.99829709  0.08296835  1.0
  Al  Al14  1  0.33169881  0.33511085  0.55001549  1.0
  Al  Al15  1  0.66773120  0.66787624  0.43909218  1.0
  Al  Al16  1  0.66773120  0.66787624  0.06090782  1.0
  Al  Al17  1  0.33169881  0.33511085  0.94998451  1.0
  Al  Al18  1  0.33816852  0.55312177  0.25000000  1.0
  Al  Al19  1  0.66948262  0.45508060  0.75000000  1.0
  Al  Al20  1  0.55424006  0.33999507  0.25000000  1.0
  Al  Al21  1  0.44674536  0.65244499  0.75000000  1.0
  Ir  Ir22  1  0.67420476  0.32850079  0.00265760  1.0
  Ir  Ir23  1  0.32767472  0.67283554  0.00275923  1.0
  Ir  Ir24  1  0.32767472  0.67283554  0.49724077  1.0
  Ir  Ir25  1  0.67420476  0.32850079  0.49734240  1.0
  Ir  Ir26  1  0.99723691  0.99800324  0.00327278  1.0
  Ir  Ir27  1  0.99723691  0.99800324  0.49672722  1.0