# generated using pymatgen
data_Hf3Sc(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41668242
_cell_length_b   7.41767020
_cell_length_c   9.16266801
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.76088097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Sc(Al3Ir)6
_chemical_formula_sum   'Hf3 Sc1 Al18 Ir6'
_cell_volume   437.59383338
_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  0.00724676  0.32851525  0.75000000  1.0
  Hf  Hf1  1  0.67129018  0.99371622  0.25000000  1.0
  Hf  Hf2  1  0.32674690  0.00586283  0.75000000  1.0
  Sc  Sc3  1  0.99386310  0.67231801  0.25000000  1.0
  Al  Al4  1  0.12387574  0.12577828  0.25000000  1.0
  Al  Al5  1  0.87466162  0.87464713  0.75000000  1.0
  Al  Al6  1  0.99832249  0.33517965  0.07735390  1.0
  Al  Al7  1  0.00101802  0.66497260  0.92323686  1.0
  Al  Al8  1  0.00101802  0.66497260  0.57676314  1.0
  Al  Al9  1  0.33445574  0.99784718  0.42281599  1.0
  Al  Al10  1  0.99832249  0.33517965  0.42264610  1.0
  Al  Al11  1  0.66507700  0.00137196  0.57759431  1.0
  Al  Al12  1  0.66507700  0.00137196  0.92240569  1.0
  Al  Al13  1  0.33445574  0.99784718  0.07718401  1.0
  Al  Al14  1  0.33267185  0.33254401  0.55801016  1.0
  Al  Al15  1  0.66857041  0.66843673  0.44089164  1.0
  Al  Al16  1  0.66857041  0.66843673  0.05910836  1.0
  Al  Al17  1  0.33267185  0.33254401  0.94198984  1.0
  Al  Al18  1  0.34127025  0.55361907  0.25000000  1.0
  Al  Al19  1  0.66118648  0.44693630  0.75000000  1.0
  Al  Al20  1  0.55174062  0.33636379  0.25000000  1.0
  Al  Al21  1  0.44801905  0.66106837  0.75000000  1.0
  Ir  Ir22  1  0.67214334  0.32586908  0.99906768  1.0
  Ir  Ir23  1  0.32709147  0.67282550  0.99878828  1.0
  Ir  Ir24  1  0.32709147  0.67282550  0.50121172  1.0
  Ir  Ir25  1  0.67214334  0.32586908  0.50093232  1.0
  Ir  Ir26  1  0.00070085  0.00154216  0.99882372  1.0
  Ir  Ir27  1  0.00070085  0.00154216  0.50117628  1.0