# generated using pymatgen
data_ScNb5(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42210700
_cell_length_b   9.42210700
_cell_length_c   3.03712752
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96547451
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb5(B2Ru5)2
_chemical_formula_sum   'Sc1 Nb5 B4 Ru10'
_cell_volume   269.62428862
_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  0.82429418  0.67570582  0.00000000  1.0
  Nb  Nb1  1  0.17568085  0.32431915  0.00000000  1.0
  Nb  Nb2  1  0.32419608  0.82240936  0.00000000  1.0
  Nb  Nb3  1  0.67759064  0.17580392  0.00000000  1.0
  Nb  Nb4  1  0.50207515  0.50117635  0.00000000  1.0
  Nb  Nb5  1  0.99882365  0.99792485  0.00000000  1.0
  B  B6  1  0.62203470  0.87796530  0.00000000  1.0
  B  B7  1  0.37779982  0.12220018  0.00000000  1.0
  B  B8  1  0.12037782  0.62083026  0.00000000  1.0
  B  B9  1  0.87916974  0.37962218  0.00000000  1.0
  Ru  Ru10  1  0.56412451  0.72181949  0.50000000  1.0
  Ru  Ru11  1  0.42739765  0.28206053  0.50000000  1.0
  Ru  Ru12  1  0.07709915  0.78184578  0.50000000  1.0
  Ru  Ru13  1  0.93046776  0.21774703  0.50000000  1.0
  Ru  Ru14  1  0.28225297  0.56953224  0.50000000  1.0
  Ru  Ru15  1  0.71815422  0.42290085  0.50000000  1.0
  Ru  Ru16  1  0.21793947  0.07260235  0.50000000  1.0
  Ru  Ru17  1  0.77818051  0.93587549  0.50000000  1.0
  Ru  Ru18  1  0.49804697  0.00195303  0.50000000  1.0
  Ru  Ru19  1  0.00429418  0.49570582  0.50000000  1.0