# generated using pymatgen
data_Sc2BeB3Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02579102
_cell_length_b   8.47528522
_cell_length_c   10.10294946
_cell_angle_alpha   90.10438215
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2BeB3Ru5
_chemical_formula_sum   'Sc4 Be2 B6 Ru10'
_cell_volume   259.08407094
_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
  Sc  Sc0  1  0.50000000  0.84468604  0.18419847  1.0
  Sc  Sc1  1  0.50000000  0.15531396  0.81580153  1.0
  Sc  Sc2  1  0.50000000  0.65509073  0.67944051  1.0
  Sc  Sc3  1  0.50000000  0.34490927  0.32055949  1.0
  Be  Be4  1  0.50000000  0.96137752  0.59404093  1.0
  Be  Be5  1  0.50000000  0.03862248  0.40595907  1.0
  B  B6  1  0.50000000  0.85128901  0.89871346  1.0
  B  B7  1  0.50000000  0.14871099  0.10128654  1.0
  B  B8  1  0.50000000  0.65392292  0.40242902  1.0
  B  B9  1  0.50000000  0.34607708  0.59757098  1.0
  B  B10  1  0.50000000  0.46490226  0.90959770  1.0
  B  B11  1  0.50000000  0.53509774  0.09040230  1.0
  Ru  Ru12  1  0.00000000  0.65710062  0.95661683  1.0
  Ru  Ru13  1  0.00000000  0.34289938  0.04338317  1.0
  Ru  Ru14  1  0.00000000  0.83307856  0.44894456  1.0
  Ru  Ru15  1  0.00000000  0.16692144  0.55105544  1.0
  Ru  Ru16  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru17  1  0.00000000  0.40514827  0.76157388  1.0
  Ru  Ru18  1  0.00000000  0.59485173  0.23842612  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru20  1  0.00000000  0.89568210  0.74796891  1.0
  Ru  Ru21  1  0.00000000  0.10431790  0.25203109  1.0