# generated using pymatgen
data_YHf3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44139995
_cell_length_b   7.43333859
_cell_length_c   9.20310346
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.70606360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHf3(Al3Ir)6
_chemical_formula_sum   'Y1 Hf3 Al18 Ir6'
_cell_volume   442.16282803
_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
  Y  Y0  1  0.32864655  0.00667463  0.75000000  1.0
  Hf  Hf1  1  0.99348137  0.67300891  0.25000000  1.0
  Hf  Hf2  1  0.00666633  0.32865096  0.75000000  1.0
  Hf  Hf3  1  0.67259220  0.99359129  0.25000000  1.0
  Al  Al4  1  0.12415247  0.12555943  0.25000000  1.0
  Al  Al5  1  0.87046697  0.87443423  0.75000000  1.0
  Al  Al6  1  0.99806503  0.33499801  0.07777856  1.0
  Al  Al7  1  0.99910814  0.66253557  0.92637779  1.0
  Al  Al8  1  0.99910814  0.66253557  0.57362221  1.0
  Al  Al9  1  0.33532965  0.99866300  0.41922252  1.0
  Al  Al10  1  0.99806503  0.33499801  0.42222144  1.0
  Al  Al11  1  0.66761661  0.00128191  0.57378520  1.0
  Al  Al12  1  0.66761661  0.00128191  0.92621480  1.0
  Al  Al13  1  0.33532965  0.99866300  0.08077748  1.0
  Al  Al14  1  0.33165904  0.33403407  0.55342224  1.0
  Al  Al15  1  0.66778179  0.66779638  0.44047667  1.0
  Al  Al16  1  0.66778179  0.66779638  0.05952333  1.0
  Al  Al17  1  0.33165904  0.33403407  0.94657776  1.0
  Al  Al18  1  0.33842930  0.55272620  0.25000000  1.0
  Al  Al19  1  0.66674617  0.45268200  0.75000000  1.0
  Al  Al20  1  0.55404334  0.33974173  0.25000000  1.0
  Al  Al21  1  0.44674578  0.65519545  0.75000000  1.0
  Ir  Ir22  1  0.67369724  0.32780521  0.00155871  1.0
  Ir  Ir23  1  0.32748564  0.67318590  0.00191473  1.0
  Ir  Ir24  1  0.32748564  0.67318590  0.49808527  1.0
  Ir  Ir25  1  0.67369724  0.32780521  0.49844129  1.0
  Ir  Ir26  1  0.99827212  0.99856704  0.00202889  1.0
  Ir  Ir27  1  0.99827212  0.99856704  0.49797111  1.0