# generated using pymatgen
data_HfSc2(AsRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.64589697
_cell_length_b   7.64589650
_cell_length_c   7.64589738
_cell_angle_alpha   128.14018216
_cell_angle_beta   120.87455839
_cell_angle_gamma   82.48719552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSc2(AsRu)3
_chemical_formula_sum   'Hf2 Sc4 As6 Ru6'
_cell_volume   290.02952279
_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  0.05211269  0.25510630  0.70299361  1.0
  Hf  Hf1  1  0.94788731  0.65088092  0.20299361  1.0
  Sc  Sc2  1  0.47072385  0.70056503  0.72984118  1.0
  Sc  Sc3  1  0.52927615  0.25911732  0.22984118  1.0
  Sc  Sc4  1  0.74988789  0.83385966  0.58397176  1.0
  Sc  Sc5  1  0.25011211  0.83408487  0.08397176  1.0
  As  As6  1  0.27855208  0.27367729  0.49512621  1.0
  As  As7  1  0.72144792  0.21657513  0.99512621  1.0
  As  As8  1  0.33116518  0.58830433  0.25127627  1.0
  As  As9  1  0.66883482  0.92011109  0.25713915  1.0
  As  As10  1  0.16297194  0.92011109  0.75127627  1.0
  As  As11  1  0.83702806  0.58830433  0.75713915  1.0
  Ru  Ru12  1  0.50000000  0.49429819  0.99429819  1.0
  Ru  Ru13  1  1.00000000  0.49429819  0.49429819  1.0
  Ru  Ru14  1  0.08999253  0.25519305  0.09995311  1.0
  Ru  Ru15  1  0.91000747  0.00996058  0.16520052  1.0
  Ru  Ru16  1  0.34476006  0.00996058  0.59995311  1.0
  Ru  Ru17  1  0.65523994  0.25519305  0.66520052  1.0