# generated using pymatgen
data_HfNb5(AlRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37246208
_cell_length_b   6.17800178
_cell_length_c   13.11575679
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99976194
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNb5(AlRu2)6
_chemical_formula_sum   'Hf1 Nb5 Al6 Ru12'
_cell_volume   354.29696768
_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  0.50005512  0.50000000  0.83332762  1.0
  Nb  Nb1  1  0.99999206  0.00000000  0.99973431  1.0
  Nb  Nb2  1  0.49997037  0.50000000  0.16651808  1.0
  Nb  Nb3  1  0.99994110  0.00000000  0.33331113  1.0
  Nb  Nb4  1  0.49999554  0.50000000  0.50018203  1.0
  Nb  Nb5  1  0.00006902  0.00000000  0.66692558  1.0
  Al  Al6  1  0.00000338  0.50000000  0.99996775  1.0
  Al  Al7  1  0.49992106  0.00000000  0.16703871  1.0
  Al  Al8  1  0.99991123  0.50000000  0.33338897  1.0
  Al  Al9  1  0.50000010  0.00000000  0.49960939  1.0
  Al  Al10  1  0.00009320  0.50000000  0.66664908  1.0
  Al  Al11  1  0.50007297  0.00000000  0.83338187  1.0
  Ru  Ru12  1  0.49999458  0.24800833  0.00253588  1.0
  Ru  Ru13  1  0.49999458  0.75199267  0.00253588  1.0
  Ru  Ru14  1  0.99994854  0.25026254  0.16765310  1.0
  Ru  Ru15  1  0.99994854  0.74973846  0.16765310  1.0
  Ru  Ru16  1  0.49993692  0.24969398  0.33334426  1.0
  Ru  Ru17  1  0.49993692  0.75030702  0.33334426  1.0
  Ru  Ru18  1  0.99999590  0.25025249  0.49901753  1.0
  Ru  Ru19  1  0.99999590  0.74974751  0.49901753  1.0
  Ru  Ru20  1  0.50005680  0.24799358  0.66411996  1.0
  Ru  Ru21  1  0.50005680  0.75200742  0.66411996  1.0
  Ru  Ru22  1  0.00005218  0.24516597  0.83331250  1.0
  Ru  Ru23  1  0.00005218  0.75483503  0.83331250  1.0