# generated using pymatgen
data_Nb5Al(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34805326
_cell_length_b   9.34805326
_cell_length_c   3.00306271
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Al(B2Ru5)2
_chemical_formula_sum   'Nb5 Al1 B4 Ru10'
_cell_volume   262.42593737
_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
  Nb  Nb0  1  0.81985496  0.67396938  0.00000000  1.0
  Nb  Nb1  1  0.18014504  0.32603062  0.00000000  1.0
  Nb  Nb2  1  0.32603062  0.81985496  0.00000000  1.0
  Nb  Nb3  1  0.67396938  0.18014504  0.00000000  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al5  1  0.50000000  0.50000000  0.00000000  1.0
  B  B6  1  0.61671964  0.87127105  0.00000000  1.0
  B  B7  1  0.38328036  0.12872895  0.00000000  1.0
  B  B8  1  0.12872895  0.61671964  0.00000000  1.0
  B  B9  1  0.87127105  0.38328036  0.00000000  1.0
  Ru  Ru10  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru11  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru12  1  0.56956579  0.71407019  0.50000000  1.0
  Ru  Ru13  1  0.43043421  0.28592981  0.50000000  1.0
  Ru  Ru14  1  0.07219880  0.78012180  0.50000000  1.0
  Ru  Ru15  1  0.92780120  0.21987820  0.50000000  1.0
  Ru  Ru16  1  0.28592981  0.56956579  0.50000000  1.0
  Ru  Ru17  1  0.71407019  0.43043421  0.50000000  1.0
  Ru  Ru18  1  0.21987820  0.07219880  0.50000000  1.0
  Ru  Ru19  1  0.78012180  0.92780120  0.50000000  1.0