# generated using pymatgen
data_HfSc3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42376284
_cell_length_b   7.42036736
_cell_length_c   9.23633974
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.74726656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc3(Al3Ir)6
_chemical_formula_sum   'Hf1 Sc3 Al18 Ir6'
_cell_volume   441.75393303
_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  0.99588195  0.67191902  0.25000000  1.0
  Sc  Sc1  1  0.00375101  0.32707696  0.75000000  1.0
  Sc  Sc2  1  0.67199412  0.99525640  0.25000000  1.0
  Sc  Sc3  1  0.32860522  0.00522773  0.75000000  1.0
  Al  Al4  1  0.12634506  0.12423052  0.25000000  1.0
  Al  Al5  1  0.87385506  0.87423289  0.75000000  1.0
  Al  Al6  1  0.99875061  0.33465270  0.07668525  1.0
  Al  Al7  1  0.00162405  0.66521912  0.92317502  1.0
  Al  Al8  1  0.00162405  0.66521912  0.57682498  1.0
  Al  Al9  1  0.33517658  0.99914480  0.42320296  1.0
  Al  Al10  1  0.99875061  0.33465270  0.42331475  1.0
  Al  Al11  1  0.66509452  0.00116212  0.57599645  1.0
  Al  Al12  1  0.66509452  0.00116212  0.92400355  1.0
  Al  Al13  1  0.33517658  0.99914480  0.07679704  1.0
  Al  Al14  1  0.33168699  0.33178907  0.55655308  1.0
  Al  Al15  1  0.66823956  0.66825118  0.44186299  1.0
  Al  Al16  1  0.66823956  0.66825118  0.05813701  1.0
  Al  Al17  1  0.33168699  0.33178907  0.94344692  1.0
  Al  Al18  1  0.33703872  0.55125458  0.25000000  1.0
  Al  Al19  1  0.65987108  0.44790960  0.75000000  1.0
  Al  Al20  1  0.55360537  0.34215384  0.25000000  1.0
  Al  Al21  1  0.44739702  0.66040113  0.75000000  1.0
  Ir  Ir22  1  0.67346910  0.32851088  0.00096014  1.0
  Ir  Ir23  1  0.32725546  0.67273569  0.00120361  1.0
  Ir  Ir24  1  0.32725546  0.67273569  0.49879639  1.0
  Ir  Ir25  1  0.67346910  0.32851088  0.49903986  1.0
  Ir  Ir26  1  0.99953184  0.99870212  0.00112178  1.0
  Ir  Ir27  1  0.99953184  0.99870212  0.49887822  1.0