# generated using pymatgen
data_Hf(AlFe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47552586
_cell_length_b   6.47552586
_cell_length_c   6.47552586
_cell_angle_alpha   135.45904464
_cell_angle_beta   98.40384181
_cell_angle_gamma   98.11158371
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf(AlFe)6
_chemical_formula_sum   'Hf1 Al6 Fe6'
_cell_volume   176.25141460
_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  -0.00000000  -0.00000000  0.00000000  1.0
  Al  Al1  1  0.34394770  0.34394770  0.00000000  1.0
  Al  Al2  1  0.65605230  0.65605230  -0.00000000  1.0
  Al  Al3  1  0.66444220  -0.00000000  0.66444220  1.0
  Al  Al4  1  0.33555780  0.00000000  0.33555780  1.0
  Al  Al5  1  0.81484447  0.31484447  0.50000000  1.0
  Al  Al6  1  0.18515553  0.68515553  0.50000000  1.0
  Fe  Fe7  1  0.50000000  -0.00000000  0.00000000  1.0
  Fe  Fe8  1  0.50000000  0.50000000  0.50000000  1.0
  Fe  Fe9  1  -0.00000000  -0.00000000  0.50000000  1.0
  Fe  Fe10  1  -0.00000000  0.50000000  0.00000000  1.0
  Fe  Fe11  1  0.23904830  0.50000000  0.73904830  1.0
  Fe  Fe12  1  0.76095170  0.50000000  0.26095170  1.0