# generated using pymatgen
data_YNbB6Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48768364
_cell_length_b   8.98172071
_cell_length_c   11.29639923
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNbB6Ru
_chemical_formula_sum   'Y4 Nb4 B24 Ru4'
_cell_volume   353.86422847
_cell_formula_units_Z   4
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
  Y  Y0  1  0.00000000  0.32273454  0.41312438  1.0
  Y  Y1  1  0.00000000  0.67726546  0.58687562  1.0
  Y  Y2  1  0.00000000  0.82273454  0.08687562  1.0
  Y  Y3  1  0.00000000  0.17726546  0.91312438  1.0
  Nb  Nb4  1  0.00000000  0.94660082  0.37518647  1.0
  Nb  Nb5  1  0.00000000  0.05339918  0.62481353  1.0
  Nb  Nb6  1  0.00000000  0.44660082  0.12481353  1.0
  Nb  Nb7  1  0.00000000  0.55339918  0.87518647  1.0
  B  B8  1  0.50000000  0.55516795  0.43414687  1.0
  B  B9  1  0.50000000  0.44483205  0.56585313  1.0
  B  B10  1  0.50000000  0.05516795  0.06585313  1.0
  B  B11  1  0.50000000  0.94483205  0.93414687  1.0
  B  B12  1  0.50000000  0.75409368  0.41855157  1.0
  B  B13  1  0.50000000  0.24590632  0.58144843  1.0
  B  B14  1  0.50000000  0.25409368  0.08144843  1.0
  B  B15  1  0.50000000  0.74590632  0.91855157  1.0
  B  B16  1  0.50000000  0.79837229  0.26304250  1.0
  B  B17  1  0.50000000  0.20162771  0.73695750  1.0
  B  B18  1  0.50000000  0.29837229  0.23695750  1.0
  B  B19  1  0.50000000  0.70162771  0.76304250  1.0
  B  B20  1  0.50000000  0.62957634  0.18180560  1.0
  B  B21  1  0.50000000  0.37042366  0.81819440  1.0
  B  B22  1  0.50000000  0.12957634  0.31819440  1.0
  B  B23  1  0.50000000  0.87042366  0.68180560  1.0
  B  B24  1  0.50000000  0.98143536  0.21377640  1.0
  B  B25  1  0.50000000  0.01856464  0.78622360  1.0
  B  B26  1  0.50000000  0.48143536  0.28622360  1.0
  B  B27  1  0.50000000  0.51856464  0.71377640  1.0
  B  B28  1  0.50000000  0.60010282  0.02683613  1.0
  B  B29  1  0.50000000  0.39989718  0.97316387  1.0
  B  B30  1  0.50000000  0.10010282  0.47316387  1.0
  B  B31  1  0.50000000  0.89989718  0.52683613  1.0
  Ru  Ru32  1  0.00000000  0.64375148  0.31854378  1.0
  Ru  Ru33  1  0.00000000  0.35624852  0.68145622  1.0
  Ru  Ru34  1  0.00000000  0.14375148  0.18145622  1.0
  Ru  Ru35  1  0.00000000  0.85624852  0.81854378  1.0