# generated using pymatgen
data_HfSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63937753
_cell_length_b   7.32841866
_cell_length_c   7.55629745
_cell_angle_alpha   119.00730973
_cell_angle_beta   116.06097237
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiRu
_chemical_formula_sum   'Hf6 Si6 Ru6'
_cell_volume   278.02576622
_cell_formula_units_Z   6
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  0.24186004  0.47003816  0.44007533  1.0
  Hf  Hf1  1  0.80178471  0.52996184  0.55992467  1.0
  Hf  Hf2  1  0.66242031  0.74694915  0.99389831  1.0
  Hf  Hf3  1  0.66852100  0.25305085  0.00610169  1.0
  Hf  Hf4  1  0.84887303  0.05303646  0.60607391  1.0
  Hf  Hf5  1  0.24279912  0.94696354  0.39392609  1.0
  Si  Si6  1  0.27985341  0.27453703  0.04907206  1.0
  Si  Si7  1  0.23078035  0.72546297  0.95092794  1.0
  Si  Si8  1  0.57728954  0.83836483  0.66491226  1.0
  Si  Si9  1  0.91237728  0.16163517  0.33508774  1.0
  Si  Si10  1  0.91237728  0.67345357  0.33508774  1.0
  Si  Si11  1  0.57728954  0.32654643  0.66491226  1.0
  Ru  Ru12  1  0.00047299  -0.00000000  -0.00000000  1.0
  Ru  Ru13  1  0.00047299  0.50000000  -0.00000000  1.0
  Ru  Ru14  1  0.49475252  0.65110098  0.24789185  1.0
  Ru  Ru15  1  0.24686067  0.34889902  0.75210815  1.0
  Ru  Ru16  1  0.24686067  0.90320813  0.75210815  1.0
  Ru  Ru17  1  0.49475252  0.09679187  0.24789185  1.0