# generated using pymatgen
data_YbHf3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43124232
_cell_length_b   7.42748060
_cell_length_c   9.22266611
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.75230000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbHf3(Al3Ir)6
_chemical_formula_sum   'Yb1 Hf3 Al18 Ir6'
_cell_volume   441.94544259
_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
  Yb  Yb0  1  0.32890033  0.00623261  0.75000000  1.0
  Hf  Hf1  1  0.99603110  0.67462527  0.25000000  1.0
  Hf  Hf2  1  0.00637717  0.32871194  0.75000000  1.0
  Hf  Hf3  1  0.66998767  0.99271428  0.25000000  1.0
  Al  Al4  1  0.12496834  0.12553512  0.25000000  1.0
  Al  Al5  1  0.87040197  0.87540350  0.75000000  1.0
  Al  Al6  1  0.99807113  0.33477326  0.07753323  1.0
  Al  Al7  1  0.00052837  0.66399821  0.92604135  1.0
  Al  Al8  1  0.00052837  0.66399821  0.57395865  1.0
  Al  Al9  1  0.33518345  0.99960680  0.42236719  1.0
  Al  Al10  1  0.99807113  0.33477326  0.42246677  1.0
  Al  Al11  1  0.66650443  0.00144819  0.57438366  1.0
  Al  Al12  1  0.66650443  0.00144819  0.92561634  1.0
  Al  Al13  1  0.33518345  0.99960680  0.07763281  1.0
  Al  Al14  1  0.33156442  0.33301255  0.55554668  1.0
  Al  Al15  1  0.66769511  0.66738238  0.43988354  1.0
  Al  Al16  1  0.66769511  0.66738238  0.06011646  1.0
  Al  Al17  1  0.33156442  0.33301255  0.94445332  1.0
  Al  Al18  1  0.33859021  0.55138433  0.25000000  1.0
  Al  Al19  1  0.66787453  0.45250367  0.75000000  1.0
  Al  Al20  1  0.55358559  0.33912389  0.25000000  1.0
  Al  Al21  1  0.44534980  0.65310530  0.75000000  1.0
  Ir  Ir22  1  0.67420657  0.32859827  0.00203356  1.0
  Ir  Ir23  1  0.32792110  0.67316129  0.00284478  1.0
  Ir  Ir24  1  0.32792110  0.67316129  0.49715522  1.0
  Ir  Ir25  1  0.67420657  0.32859827  0.49796644  1.0
  Ir  Ir26  1  0.99729308  0.99834710  0.00261356  1.0
  Ir  Ir27  1  0.99729308  0.99834710  0.49738644  1.0