# generated using pymatgen
data_HfZr3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43105958
_cell_length_b   7.43021977
_cell_length_c   9.17242978
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.77970883
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr3(Al3Ir)6
_chemical_formula_sum   'Hf1 Zr3 Al18 Ir6'
_cell_volume   439.56914806
_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
  Hf  Hf0  1  0.99381483  0.67226637  0.25000000  1.0
  Zr  Zr1  1  0.00619852  0.32843447  0.75000000  1.0
  Zr  Zr2  1  0.67170833  0.99384120  0.25000000  1.0
  Zr  Zr3  1  0.32812743  0.00607420  0.75000000  1.0
  Al  Al4  1  0.12537440  0.12511974  0.25000000  1.0
  Al  Al5  1  0.87464344  0.87473089  0.75000000  1.0
  Al  Al6  1  0.99856827  0.33489698  0.07646072  1.0
  Al  Al7  1  0.00104778  0.66526878  0.92481023  1.0
  Al  Al8  1  0.00104778  0.66526878  0.57518977  1.0
  Al  Al9  1  0.33469319  0.99843174  0.42352054  1.0
  Al  Al10  1  0.99856827  0.33489698  0.42353928  1.0
  Al  Al11  1  0.66538983  0.00113608  0.57504687  1.0
  Al  Al12  1  0.66538983  0.00113608  0.92495313  1.0
  Al  Al13  1  0.33469319  0.99843174  0.07647946  1.0
  Al  Al14  1  0.33235683  0.33233845  0.55476047  1.0
  Al  Al15  1  0.66798245  0.66774095  0.44305784  1.0
  Al  Al16  1  0.66798245  0.66774095  0.05694216  1.0
  Al  Al17  1  0.33235683  0.33233845  0.94523953  1.0
  Al  Al18  1  0.33834753  0.55265333  0.25000000  1.0
  Al  Al19  1  0.66096905  0.44749891  0.75000000  1.0
  Al  Al20  1  0.55307157  0.33930125  0.25000000  1.0
  Al  Al21  1  0.44765267  0.66111580  0.75000000  1.0
  Ir  Ir22  1  0.67336780  0.32769592  0.00038310  1.0
  Ir  Ir23  1  0.32669863  0.67279099  0.00030697  1.0
  Ir  Ir24  1  0.32669863  0.67279099  0.49969303  1.0
  Ir  Ir25  1  0.67336780  0.32769592  0.49961690  1.0
  Ir  Ir26  1  0.99994233  0.99918054  0.00056567  1.0
  Ir  Ir27  1  0.99994233  0.99918054  0.49943433  1.0