# generated using pymatgen
data_Sc3Al(B4Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96624391
_cell_length_b   8.45224960
_cell_length_c   10.00910442
_cell_angle_alpha   88.61781486
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Al(B4Ru5)2
_chemical_formula_sum   'Sc3 Al1 B8 Ru10'
_cell_volume   250.86958541
_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
  Sc  Sc0  1  0.50000000  0.15190738  0.82637722  1.0
  Sc  Sc1  1  0.50000000  0.65598600  0.67617736  1.0
  Sc  Sc2  1  0.50000000  0.35132605  0.31059042  1.0
  Al  Al3  1  0.50000000  0.86164255  0.19969347  1.0
  B  B4  1  0.50000000  0.96665565  0.59276840  1.0
  B  B5  1  0.50000000  0.04129152  0.41655190  1.0
  B  B6  1  0.50000000  0.84451212  0.89961173  1.0
  B  B7  1  0.50000000  0.14041192  0.10136985  1.0
  B  B8  1  0.50000000  0.65349378  0.39263135  1.0
  B  B9  1  0.50000000  0.35298731  0.59833117  1.0
  B  B10  1  0.50000000  0.45759598  0.90767158  1.0
  B  B11  1  0.50000000  0.53611063  0.08447178  1.0
  Ru  Ru12  1  0.00000000  0.64872320  0.94348880  1.0
  Ru  Ru13  1  0.00000000  0.33296761  0.04675076  1.0
  Ru  Ru14  1  0.00000000  0.84094202  0.45744839  1.0
  Ru  Ru15  1  0.00000000  0.16181165  0.54870006  1.0
  Ru  Ru16  1  0.00000000  0.97989487  0.01102355  1.0
  Ru  Ru17  1  0.00000000  0.39994430  0.75777297  1.0
  Ru  Ru18  1  0.00000000  0.62199542  0.22857294  1.0
  Ru  Ru19  1  0.00000000  0.50216706  0.49295736  1.0
  Ru  Ru20  1  0.00000000  0.90258975  0.74158749  1.0
  Ru  Ru21  1  0.00000000  0.09504221  0.26544946  1.0