# generated using pymatgen
data_LuHf3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43059315
_cell_length_b   7.42714947
_cell_length_c   9.17927425
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.71570795
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuHf3(Al3Ir)6
_chemical_formula_sum   'Lu1 Hf3 Al18 Ir6'
_cell_volume   439.96855663
_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
  Lu  Lu0  1  0.32806772  0.00646757  0.75000000  1.0
  Hf  Hf1  1  0.99391011  0.67321963  0.25000000  1.0
  Hf  Hf2  1  0.00662168  0.32840169  0.75000000  1.0
  Hf  Hf3  1  0.67199881  0.99335117  0.25000000  1.0
  Al  Al4  1  0.12449477  0.12553351  0.25000000  1.0
  Al  Al5  1  0.87153345  0.87434672  0.75000000  1.0
  Al  Al6  1  0.99821873  0.33489941  0.07750496  1.0
  Al  Al7  1  0.00006740  0.66331757  0.92480560  1.0
  Al  Al8  1  0.00006740  0.66331757  0.57519440  1.0
  Al  Al9  1  0.33525947  0.99895622  0.42074044  1.0
  Al  Al10  1  0.99821873  0.33489941  0.42249504  1.0
  Al  Al11  1  0.66670033  0.00140838  0.57536365  1.0
  Al  Al12  1  0.66670033  0.00140838  0.92463635  1.0
  Al  Al13  1  0.33525947  0.99895622  0.07925956  1.0
  Al  Al14  1  0.33179061  0.33332528  0.55586777  1.0
  Al  Al15  1  0.66782433  0.66773627  0.44102031  1.0
  Al  Al16  1  0.66782433  0.66773627  0.05897969  1.0
  Al  Al17  1  0.33179061  0.33332528  0.94413223  1.0
  Al  Al18  1  0.33845688  0.55221747  0.25000000  1.0
  Al  Al19  1  0.66509716  0.45105683  0.75000000  1.0
  Al  Al20  1  0.55371118  0.33943640  0.25000000  1.0
  Al  Al21  1  0.44677239  0.65705359  0.75000000  1.0
  Ir  Ir22  1  0.67342989  0.32738347  0.00098910  1.0
  Ir  Ir23  1  0.32744191  0.67352430  0.00155590  1.0
  Ir  Ir24  1  0.32744191  0.67352430  0.49844410  1.0
  Ir  Ir25  1  0.67342989  0.32738347  0.49901090  1.0
  Ir  Ir26  1  0.99893526  0.99890582  0.00130741  1.0
  Ir  Ir27  1  0.99893526  0.99890582  0.49869259  1.0