# generated using pymatgen
data_PrHf3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46311392
_cell_length_b   7.44720276
_cell_length_c   9.24708405
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.68351622
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrHf3(Al3Ir)6
_chemical_formula_sum   'Pr1 Hf3 Al18 Ir6'
_cell_volume   446.50351211
_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
  Pr  Pr0  1  0.32942989  0.00720903  0.75000000  1.0
  Hf  Hf1  1  0.99275016  0.67244459  0.25000000  1.0
  Hf  Hf2  1  0.00646634  0.32898761  0.75000000  1.0
  Hf  Hf3  1  0.67352727  0.99424152  0.25000000  1.0
  Al  Al4  1  0.12343623  0.12551094  0.25000000  1.0
  Al  Al5  1  0.86793371  0.87471393  0.75000000  1.0
  Al  Al6  1  0.99776542  0.33505454  0.07820643  1.0
  Al  Al7  1  0.99765649  0.66129394  0.92911272  1.0
  Al  Al8  1  0.99765649  0.66129394  0.57088728  1.0
  Al  Al9  1  0.33538688  0.99810558  0.41647964  1.0
  Al  Al10  1  0.99776542  0.33505454  0.42179357  1.0
  Al  Al11  1  0.66922514  0.00111991  0.57095156  1.0
  Al  Al12  1  0.66922514  0.00111991  0.92904844  1.0
  Al  Al13  1  0.33538688  0.99810558  0.08352036  1.0
  Al  Al14  1  0.33166545  0.33533058  0.54899572  1.0
  Al  Al15  1  0.66777332  0.66793173  0.43878285  1.0
  Al  Al16  1  0.66777332  0.66793173  0.06121715  1.0
  Al  Al17  1  0.33166545  0.33533058  0.95100428  1.0
  Al  Al18  1  0.33804894  0.55328653  0.25000000  1.0
  Al  Al19  1  0.67039913  0.45590105  0.75000000  1.0
  Al  Al20  1  0.55433155  0.34002080  0.25000000  1.0
  Al  Al21  1  0.44655898  0.65147319  0.75000000  1.0
  Ir  Ir22  1  0.67433538  0.32868189  0.00290889  1.0
  Ir  Ir23  1  0.32775337  0.67274375  0.00295401  1.0
  Ir  Ir24  1  0.32775337  0.67274375  0.49704599  1.0
  Ir  Ir25  1  0.67433538  0.32868189  0.49709111  1.0
  Ir  Ir26  1  0.99699844  0.99784348  0.00356668  1.0
  Ir  Ir27  1  0.99699844  0.99784348  0.49643332  1.0