# generated using pymatgen
data_HfZr3(ScRu2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45747299
_cell_length_b   4.55177025
_cell_length_c   9.10361270
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00003886
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr3(ScRu2)4
_chemical_formula_sum   'Hf1 Zr3 Sc4 Ru8'
_cell_volume   267.58188197
_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  0.24998750  0.75000000  0.87499536  1.0
  Zr  Zr1  1  0.75000974  0.25000000  0.12474414  1.0
  Zr  Zr2  1  0.25001076  0.75000000  0.37499800  1.0
  Zr  Zr3  1  0.74999203  0.25000000  0.62526208  1.0
  Sc  Sc4  1  0.25001300  0.25000000  0.12384210  1.0
  Sc  Sc5  1  0.75001415  0.75000000  0.37500561  1.0
  Sc  Sc6  1  0.24999047  0.25000000  0.62614988  1.0
  Sc  Sc7  1  0.74998748  0.75000000  0.87500399  1.0
  Ru  Ru8  1  0.49924916  0.75000000  0.12417873  1.0
  Ru  Ru9  1  0.00076683  0.75000000  0.12417863  1.0
  Ru  Ru10  1  0.49980709  0.25000000  0.37500021  1.0
  Ru  Ru11  1  0.00021144  0.25000000  0.37499973  1.0
  Ru  Ru12  1  0.00075353  0.75000000  0.62582362  1.0
  Ru  Ru13  1  0.49923440  0.75000000  0.62582376  1.0
  Ru  Ru14  1  0.00123275  0.25000000  0.87499816  1.0
  Ru  Ru15  1  0.49874367  0.25000000  0.87499800  1.0