# generated using pymatgen
data_Hf12AlRe6Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.60957161
_cell_length_b   6.51817769
_cell_length_c   13.83961909
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00011272
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf12AlRe6Ir5
_chemical_formula_sum   'Hf12 Al1 Re6 Ir5'
_cell_volume   415.82528968
_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  0.50000017  0.25374332  0.99999993  1.0
  Hf  Hf1  1  0.50000017  0.74625668  0.99999993  1.0
  Hf  Hf2  1  0.99999167  0.25177758  0.16870296  1.0
  Hf  Hf3  1  0.99999167  0.74822242  0.16870296  1.0
  Hf  Hf4  1  0.49999154  0.24998143  0.33399236  1.0
  Hf  Hf5  1  0.49999154  0.75001757  0.33399236  1.0
  Hf  Hf6  1  0.99999830  0.24941763  0.50000086  1.0
  Hf  Hf7  1  0.99999830  0.75058137  0.50000086  1.0
  Hf  Hf8  1  0.50000909  0.24998274  0.66601023  1.0
  Hf  Hf9  1  0.50000909  0.75001626  0.66601023  1.0
  Hf  Hf10  1  0.00000722  0.25178065  0.83129726  1.0
  Hf  Hf11  1  0.00000722  0.74821935  0.83129726  1.0
  Al  Al12  1  0.99999893  0.00000000  0.99999845  1.0
  Re  Re13  1  0.00000397  0.50000100  0.00000082  1.0
  Re  Re14  1  0.49999447  0.00000000  0.16386189  1.0
  Re  Re15  1  0.99999192  0.50000100  0.33408164  1.0
  Re  Re16  1  0.49999579  0.00000000  0.49999484  1.0
  Re  Re17  1  0.00001011  0.50000100  0.66591995  1.0
  Re  Re18  1  0.50000813  0.00000000  0.83613589  1.0
  Ir  Ir19  1  0.49999134  0.50000100  0.16792581  1.0
  Ir  Ir20  1  0.99998954  0.00000000  0.33330297  1.0
  Ir  Ir21  1  0.50000063  0.50000100  0.49999793  1.0
  Ir  Ir22  1  0.00000932  0.00000000  0.66669216  1.0
  Ir  Ir23  1  0.50000986  0.50000100  0.83208044  1.0