# generated using pymatgen
data_Nb5Fe(B2Ru5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.33531445
_cell_length_b   9.33531445
_cell_length_c   3.00982828
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb5Fe(B2Ru5)2
_chemical_formula_sum   'Nb5 Fe1 B4 Ru10'
_cell_volume   262.30080400
_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  0.82020581  0.67439581  0.00000000  1.0
  Nb  Nb1  1  0.17979419  0.32560419  0.00000000  1.0
  Nb  Nb2  1  0.32560419  0.82020581  0.00000000  1.0
  Nb  Nb3  1  0.67439581  0.17979419  0.00000000  1.0
  Nb  Nb4  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe5  1  0.50000000  0.50000000  0.00000000  1.0
  B  B6  1  0.61690066  0.87098270  0.00000000  1.0
  B  B7  1  0.38309934  0.12901730  0.00000000  1.0
  B  B8  1  0.12901730  0.61690066  0.00000000  1.0
  B  B9  1  0.87098270  0.38309934  0.00000000  1.0
  Ru  Ru10  1  0.56858730  0.71399345  0.50000000  1.0
  Ru  Ru11  1  0.43141270  0.28600655  0.50000000  1.0
  Ru  Ru12  1  0.07286021  0.78009595  0.50000000  1.0
  Ru  Ru13  1  0.92713979  0.21990405  0.50000000  1.0
  Ru  Ru14  1  0.28600655  0.56858730  0.50000000  1.0
  Ru  Ru15  1  0.71399345  0.43141270  0.50000000  1.0
  Ru  Ru16  1  0.21990405  0.07286021  0.50000000  1.0
  Ru  Ru17  1  0.78009595  0.92713979  0.50000000  1.0
  Ru  Ru18  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru19  1  0.00000000  0.50000000  0.50000000  1.0