# generated using pymatgen
data_Sc5Al(BRu2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.81258300
_cell_length_b   8.81258300
_cell_length_c   3.05298550
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Al(BRu2)4
_chemical_formula_sum   'Sc5 Al1 B4 Ru8'
_cell_volume   237.09979747
_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  0.50000000  0.50000000  1.0
  Sc  Sc1  1  0.00000000  0.34493181  0.50000000  1.0
  Sc  Sc2  1  0.34493181  0.00000000  0.50000000  1.0
  Sc  Sc3  1  0.65506819  0.00000000  0.50000000  1.0
  Sc  Sc4  1  0.00000000  0.65506819  0.50000000  1.0
  Al  Al5  1  0.00000000  0.00000000  0.50000000  1.0
  B  B6  1  0.30209744  0.30209744  0.50000000  1.0
  B  B7  1  0.30209744  0.69790256  0.50000000  1.0
  B  B8  1  0.69790256  0.30209744  0.50000000  1.0
  B  B9  1  0.69790256  0.69790256  0.50000000  1.0
  Ru  Ru10  1  0.82281174  0.82281174  0.00000000  1.0
  Ru  Ru11  1  0.82281174  0.17718826  0.00000000  1.0
  Ru  Ru12  1  0.17718826  0.82281174  0.00000000  1.0
  Ru  Ru13  1  0.17718826  0.17718826  0.00000000  1.0
  Ru  Ru14  1  0.50000000  0.74951793  0.00000000  1.0
  Ru  Ru15  1  0.74951793  0.50000000  0.00000000  1.0
  Ru  Ru16  1  0.25048207  0.50000000  0.00000000  1.0
  Ru  Ru17  1  0.50000000  0.25048207  0.00000000  1.0