# generated using pymatgen
data_HfSiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66453528
_cell_length_b   6.62395549
_cell_length_c   6.62438517
_cell_angle_alpha   119.99785282
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiRu
_chemical_formula_sum   'Hf3 Si3 Ru3'
_cell_volume   139.25856539
_cell_formula_units_Z   3
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  0.50000000  0.58464204  0.00000000  1.0
  Hf  Hf1  1  0.50000000  0.41532290  0.41532567  1.0
  Hf  Hf2  1  0.50000000  0.99999623  0.58467433  1.0
  Si  Si3  1  0.00000000  0.33333211  0.66666209  1.0
  Si  Si4  1  0.00000000  0.66667002  0.33333791  1.0
  Si  Si5  1  0.50000000  0.99994988  1.00000000  1.0
  Ru  Ru6  1  0.00000000  0.24610915  0.00000000  1.0
  Ru  Ru7  1  0.00000000  0.75387621  0.75387175  1.0
  Ru  Ru8  1  0.00000000  0.00000446  0.24612825  1.0