# generated using pymatgen
data_HfSc(SiRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60618259
_cell_length_b   7.60465938
_cell_length_c   7.60618243
_cell_angle_alpha   127.41619569
_cell_angle_beta   124.20357395
_cell_angle_gamma   80.23266988
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc(SiRu)2
_chemical_formula_sum   'Hf3 Sc3 Si6 Ru6'
_cell_volume   278.92676275
_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  0.25169200  0.84443761  0.09274761  1.0
  Hf  Hf1  1  0.05126058  0.25616293  0.70490135  1.0
  Hf  Hf2  1  0.94854115  0.65084765  0.20230649  1.0
  Sc  Sc3  1  0.46144427  0.67868841  0.71724414  1.0
  Sc  Sc4  1  0.53908202  0.25404055  0.21495853  1.0
  Sc  Sc5  1  0.74805620  0.83991431  0.59185810  1.0
  Si  Si6  1  0.26518612  0.26756825  0.50238214  1.0
  Si  Si7  1  0.73476453  0.23240320  0.99763967  1.0
  Si  Si8  1  0.33002666  0.58703067  0.25154404  1.0
  Si  Si9  1  0.67035689  0.92147716  0.25753370  1.0
  Si  Si10  1  0.16394346  0.92147716  0.75112027  1.0
  Si  Si11  1  0.83548662  0.58703067  0.75700401  1.0
  Ru  Ru12  1  0.50044575  0.50066167  0.00088281  1.0
  Ru  Ru13  1  0.99977885  0.50066167  0.50021592  1.0
  Ru  Ru14  1  0.10389568  0.25294885  0.10920998  1.0
  Ru  Ru15  1  0.89909308  0.00565070  0.15244444  1.0
  Ru  Ru16  1  0.35320626  0.00565070  0.60655663  1.0
  Ru  Ru17  1  0.64374088  0.25294885  0.64905418  1.0