# generated using pymatgen
data_Hf6ZrSc5Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54255378
_cell_length_b   6.43194859
_cell_length_c   13.62458191
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99996343
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf6ZrSc5Ru12
_chemical_formula_sum   'Hf6 Zr1 Sc5 Ru12'
_cell_volume   398.07584573
_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  0.50000000  0.00000000  1.0
  Hf  Hf1  1  0.49998686  0.00000000  0.16974070  1.0
  Hf  Hf2  1  0.99998906  0.50000000  0.33410014  1.0
  Hf  Hf3  1  0.50000100  0.00000000  0.50000000  1.0
  Hf  Hf4  1  0.00001094  0.50000000  0.66589986  1.0
  Hf  Hf5  1  0.50001214  0.00000000  0.83025930  1.0
  Zr  Zr6  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc7  1  0.49998746  0.50000000  0.16757455  1.0
  Sc  Sc8  1  0.99998694  0.00000000  0.33445640  1.0
  Sc  Sc9  1  0.50000100  0.50000000  0.50000000  1.0
  Sc  Sc10  1  0.00001306  0.00000000  0.66554360  1.0
  Sc  Sc11  1  0.50001254  0.50000000  0.83242545  1.0
  Ru  Ru12  1  0.49999900  0.24834372  0.00000000  1.0
  Ru  Ru13  1  0.49999900  0.75165628  0.00000000  1.0
  Ru  Ru14  1  0.99998615  0.24926625  0.16579951  1.0
  Ru  Ru15  1  0.99998615  0.75073375  0.16579951  1.0
  Ru  Ru16  1  0.49998631  0.25028230  0.33336404  1.0
  Ru  Ru17  1  0.49998631  0.74971770  0.33336404  1.0
  Ru  Ru18  1  0.00000000  0.25013758  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.74986342  0.50000000  1.0
  Ru  Ru20  1  0.50001369  0.25028230  0.66663596  1.0
  Ru  Ru21  1  0.50001369  0.74971770  0.66663596  1.0
  Ru  Ru22  1  0.00001385  0.24926625  0.83420049  1.0
  Ru  Ru23  1  0.00001385  0.75073375  0.83420049  1.0