# generated using pymatgen
data_Hf3Zr(ScRu2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43250839
_cell_length_b   4.53811703
_cell_length_c   9.07903500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00008193
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf3Zr(ScRu2)4
_chemical_formula_sum   'Hf3 Zr1 Sc4 Ru8'
_cell_volume   265.03043110
_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  0.25002594  0.75000000  0.37540404  1.0
  Hf  Hf1  1  0.74997608  0.25000000  0.62501353  1.0
  Hf  Hf2  1  0.24997375  0.75000000  0.87456629  1.0
  Zr  Zr3  1  0.75002431  0.25000000  0.12501314  1.0
  Sc  Sc4  1  0.25002306  0.25000000  0.12498219  1.0
  Sc  Sc5  1  0.75002121  0.75000000  0.37605359  1.0
  Sc  Sc6  1  0.24998465  0.25000000  0.62498792  1.0
  Sc  Sc7  1  0.74996765  0.75000000  0.87397710  1.0
  Ru  Ru8  1  0.49887020  0.75000000  0.12499768  1.0
  Ru  Ru9  1  0.00115935  0.75000000  0.12499689  1.0
  Ru  Ru10  1  0.49940197  0.25000000  0.37578101  1.0
  Ru  Ru11  1  0.00063130  0.25000000  0.37578161  1.0
  Ru  Ru12  1  0.00006914  0.75000000  0.62499896  1.0
  Ru  Ru13  1  0.49990569  0.75000000  0.62499951  1.0
  Ru  Ru14  1  0.00060143  0.25000000  0.87422471  1.0
  Ru  Ru15  1  0.49936830  0.25000000  0.87422483  1.0