# generated using pymatgen
data_Hf2Sc(AsRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62872481
_cell_length_b   7.62872561
_cell_length_c   7.62872547
_cell_angle_alpha   128.07571644
_cell_angle_beta   120.47622443
_cell_angle_gamma   82.88373827
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2Sc(AsRu)3
_chemical_formula_sum   'Hf4 Sc2 As6 Ru6'
_cell_volume   289.29666783
_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  0.75046520  0.83283423  0.58236904  1.0
  Hf  Hf1  1  0.24953480  0.83190484  0.08236904  1.0
  Hf  Hf2  1  0.05275892  0.25846203  0.70570311  1.0
  Hf  Hf3  1  0.94724108  0.65294419  0.20570311  1.0
  Sc  Sc4  1  0.47018850  0.69988678  0.72969728  1.0
  Sc  Sc5  1  0.52981150  0.25950878  0.22969728  1.0
  As  As6  1  0.27932476  0.27613353  0.49680976  1.0
  As  As7  1  0.72067524  0.21748500  0.99680976  1.0
  As  As8  1  0.33051455  0.58702099  0.25135169  1.0
  As  As9  1  0.66948545  0.92083614  0.25650644  1.0
  As  As10  1  0.16432970  0.92083614  0.75135169  1.0
  As  As11  1  0.83567030  0.58702099  0.75650644  1.0
  Ru  Ru12  1  0.50000000  0.49663395  0.99663395  1.0
  Ru  Ru13  1  0.00000000  0.49663395  0.49663395  1.0
  Ru  Ru14  1  0.08822083  0.25211655  0.09683302  1.0
  Ru  Ru15  1  0.91177917  0.00861119  0.16389572  1.0
  Ru  Ru16  1  0.34471647  0.00861119  0.59683302  1.0
  Ru  Ru17  1  0.65528353  0.25211655  0.66389572  1.0