# generated using pymatgen
data_HfZr2(SiRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60086999
_cell_length_b   7.60086960
_cell_length_c   7.60086988
_cell_angle_alpha   127.90786397
_cell_angle_beta   122.00467410
_cell_angle_gamma   81.69850288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2(SiRu)3
_chemical_formula_sum   'Hf2 Zr4 Si6 Ru6'
_cell_volume   282.82437958
_cell_formula_units_Z   2
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  0.05312427  0.25704994  0.70392467  1.0
  Hf  Hf1  1  0.94687573  0.65080039  0.20392467  1.0
  Zr  Zr2  1  0.46984453  0.69778023  0.72793570  1.0
  Zr  Zr3  1  0.53015547  0.25809117  0.22793570  1.0
  Zr  Zr4  1  0.74677454  0.83079721  0.58402267  1.0
  Zr  Zr5  1  0.25322546  0.83724613  0.08402267  1.0
  Si  Si6  1  0.27443849  0.26912468  0.49468619  1.0
  Si  Si7  1  0.72556151  0.22024670  0.99468619  1.0
  Si  Si8  1  0.32434681  0.58703968  0.24745958  1.0
  Si  Si9  1  0.67565319  0.92311277  0.26269286  1.0
  Si  Si10  1  0.16041991  0.92311277  0.74745958  1.0
  Si  Si11  1  0.83958009  0.58703968  0.76269286  1.0
  Ru  Ru12  1  0.50000000  0.49799005  0.99799005  1.0
  Ru  Ru13  1  1.00000000  0.49799005  0.49799005  1.0
  Ru  Ru14  1  0.09540161  0.25438176  0.10210912  1.0
  Ru  Ru15  1  0.90459839  0.00670750  0.15898115  1.0
  Ru  Ru16  1  0.34772735  0.00670750  0.60210912  1.0
  Ru  Ru17  1  0.65227265  0.25438176  0.65898115  1.0