# generated using pymatgen
data_ScUB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56095251
_cell_length_b   8.99417977
_cell_length_c   11.38783265
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScUB6Ru
_chemical_formula_sum   'Sc4 U4 B24 Ru4'
_cell_volume   364.72776157
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.00000000  0.44534148  0.12515076  1.0
  Sc  Sc1  1  0.00000000  0.55465852  0.87484924  1.0
  Sc  Sc2  1  0.00000000  0.94534148  0.37484924  1.0
  Sc  Sc3  1  0.00000000  0.05465852  0.62515076  1.0
  U  U4  1  0.00000000  0.82305885  0.08559845  1.0
  U  U5  1  0.00000000  0.17694115  0.91440155  1.0
  U  U6  1  0.00000000  0.32305885  0.41440155  1.0
  U  U7  1  0.00000000  0.67694115  0.58559845  1.0
  B  B8  1  0.50000000  0.05367815  0.06730411  1.0
  B  B9  1  0.50000000  0.94632185  0.93269589  1.0
  B  B10  1  0.50000000  0.55367815  0.43269589  1.0
  B  B11  1  0.50000000  0.44632185  0.56730411  1.0
  B  B12  1  0.50000000  0.25295887  0.08054582  1.0
  B  B13  1  0.50000000  0.74704113  0.91945418  1.0
  B  B14  1  0.50000000  0.75295887  0.41945418  1.0
  B  B15  1  0.50000000  0.24704113  0.58054582  1.0
  B  B16  1  0.50000000  0.29586971  0.23418618  1.0
  B  B17  1  0.50000000  0.70413029  0.76581382  1.0
  B  B18  1  0.50000000  0.79586971  0.26581382  1.0
  B  B19  1  0.50000000  0.20413029  0.73418618  1.0
  B  B20  1  0.50000000  0.13203103  0.31809819  1.0
  B  B21  1  0.50000000  0.86796897  0.68190181  1.0
  B  B22  1  0.50000000  0.63203103  0.18190181  1.0
  B  B23  1  0.50000000  0.36796897  0.81809819  1.0
  B  B24  1  0.50000000  0.48265586  0.28463816  1.0
  B  B25  1  0.50000000  0.51734414  0.71536184  1.0
  B  B26  1  0.50000000  0.98265586  0.21536184  1.0
  B  B27  1  0.50000000  0.01734414  0.78463816  1.0
  B  B28  1  0.50000000  0.10088771  0.47271899  1.0
  B  B29  1  0.50000000  0.89911229  0.52728101  1.0
  B  B30  1  0.50000000  0.60088771  0.02728101  1.0
  B  B31  1  0.50000000  0.39911229  0.97271899  1.0
  Ru  Ru32  1  0.00000000  0.14143118  0.18123440  1.0
  Ru  Ru33  1  0.00000000  0.85856882  0.81876560  1.0
  Ru  Ru34  1  0.00000000  0.64143118  0.31876560  1.0
  Ru  Ru35  1  0.00000000  0.35856882  0.68123440  1.0