# generated using pymatgen
data_HfZr2ScRu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49085881
_cell_length_b   4.57258910
_cell_length_c   9.14026204
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2ScRu4
_chemical_formula_sum   'Hf2 Zr4 Sc2 Ru8'
_cell_volume   271.28325358
_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  0.24991611  0.25000000  0.12423023  1.0
  Hf  Hf1  1  0.74991711  0.75000000  0.37576977  1.0
  Zr  Zr2  1  0.74993883  0.25000000  0.12210756  1.0
  Zr  Zr3  1  0.24993983  0.75000000  0.37789144  1.0
  Zr  Zr4  1  0.75008477  0.25000000  0.62802733  1.0
  Zr  Zr5  1  0.25008377  0.75000000  0.87197167  1.0
  Sc  Sc6  1  0.25007712  0.25000000  0.62546587  1.0
  Sc  Sc7  1  0.75007612  0.75000000  0.87453513  1.0
  Ru  Ru8  1  0.49791126  0.75000000  0.12726462  1.0
  Ru  Ru9  1  0.00198759  0.75000000  0.12726374  1.0
  Ru  Ru10  1  0.50198659  0.25000000  0.37273726  1.0
  Ru  Ru11  1  0.99791126  0.25000000  0.37273538  1.0
  Ru  Ru12  1  0.99793594  0.75000000  0.62268863  1.0
  Ru  Ru13  1  0.50214837  0.75000000  0.62268523  1.0
  Ru  Ru14  1  0.00214837  0.25000000  0.87731577  1.0
  Ru  Ru15  1  0.49793494  0.25000000  0.87731137  1.0