# generated using pymatgen
data_HfSc(Al3Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42173652
_cell_length_b   7.42087361
_cell_length_c   9.19694417
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.77471676
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc(Al3Ir)3
_chemical_formula_sum   'Hf2 Sc2 Al18 Ir6'
_cell_volume   439.65920795
_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
  Hf  Hf0  1  0.99467195  0.67274483  0.25000000  1.0
  Hf  Hf1  1  0.00532805  0.32725517  0.75000000  1.0
  Sc  Sc2  1  0.67116170  0.99312090  0.25000000  1.0
  Sc  Sc3  1  0.32883830  0.00687910  0.75000000  1.0
  Al  Al4  1  0.12692272  0.12481344  0.25000000  1.0
  Al  Al5  1  0.87307728  0.87518656  0.75000000  1.0
  Al  Al6  1  0.99810094  0.33451605  0.07665332  1.0
  Al  Al7  1  0.00189906  0.66548395  0.92334668  1.0
  Al  Al8  1  0.00189906  0.66548395  0.57665332  1.0
  Al  Al9  1  0.33522455  0.99890803  0.42385672  1.0
  Al  Al10  1  0.99810094  0.33451605  0.42334668  1.0
  Al  Al11  1  0.66477545  0.00109197  0.57614328  1.0
  Al  Al12  1  0.66477545  0.00109197  0.92385672  1.0
  Al  Al13  1  0.33522455  0.99890803  0.07614328  1.0
  Al  Al14  1  0.33191324  0.33201878  0.55850068  1.0
  Al  Al15  1  0.66808676  0.66798122  0.44149932  1.0
  Al  Al16  1  0.66808676  0.66798122  0.05850068  1.0
  Al  Al17  1  0.33191324  0.33201878  0.94149932  1.0
  Al  Al18  1  0.33679422  0.55063987  0.25000000  1.0
  Al  Al19  1  0.66320578  0.44936013  0.75000000  1.0
  Al  Al20  1  0.55386599  0.34186767  0.25000000  1.0
  Al  Al21  1  0.44613401  0.65813233  0.75000000  1.0
  Ir  Ir22  1  0.67361925  0.32820322  0.99965763  1.0
  Ir  Ir23  1  0.32638075  0.67179678  0.00034237  1.0
  Ir  Ir24  1  0.32638075  0.67179678  0.49965763  1.0
  Ir  Ir25  1  0.67361925  0.32820322  0.50034237  1.0
  Ir  Ir26  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir27  1  0.00000000  0.00000000  0.50000000  1.0