# generated using pymatgen
data_Hf5Sc(SnRu2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52526554
_cell_length_b   6.39867424
_cell_length_c   13.57610900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00017216
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf5Sc(SnRu2)6
_chemical_formula_sum   'Hf5 Sc1 Sn6 Ru12'
_cell_volume   393.10573967
_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  0.99999875  0.50000100  0.99930466  1.0
  Hf  Hf1  1  0.49996060  0.00000000  0.16592403  1.0
  Hf  Hf2  1  0.99997029  0.50000100  0.33330975  1.0
  Hf  Hf3  1  0.50000387  0.00000000  0.50072516  1.0
  Hf  Hf4  1  0.00003181  0.50000100  0.66738408  1.0
  Sc  Sc5  1  0.50004583  0.00000000  0.83334974  1.0
  Sn  Sn6  1  0.00000393  0.00000000  0.99792471  1.0
  Sn  Sn7  1  0.49995232  0.50000100  0.16626026  1.0
  Sn  Sn8  1  0.99996549  0.00000000  0.33333473  1.0
  Sn  Sn9  1  0.50000634  0.50000100  0.50040115  1.0
  Sn  Sn10  1  0.00002967  0.00000000  0.66874328  1.0
  Sn  Sn11  1  0.50003319  0.50000100  0.83334300  1.0
  Ru  Ru12  1  0.50000172  0.25100125  0.00138770  1.0
  Ru  Ru13  1  0.50000172  0.74899975  0.00138770  1.0
  Ru  Ru14  1  0.99995958  0.24953807  0.16695068  1.0
  Ru  Ru15  1  0.99995958  0.75046093  0.16695068  1.0
  Ru  Ru16  1  0.49997072  0.25028400  0.33331240  1.0
  Ru  Ru17  1  0.49997072  0.74971600  0.33331240  1.0
  Ru  Ru18  1  0.00000697  0.24955042  0.49969342  1.0
  Ru  Ru19  1  0.00000697  0.75045058  0.49969342  1.0
  Ru  Ru20  1  0.50002832  0.25099733  0.66530080  1.0
  Ru  Ru21  1  0.50002832  0.74900267  0.66530080  1.0
  Ru  Ru22  1  0.00003116  0.25342228  0.83335374  1.0
  Ru  Ru23  1  0.00003116  0.74657672  0.83335374  1.0