# generated using pymatgen
data_Nb3B2Ru5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44322007
_cell_length_b   9.44322007
_cell_length_c   3.00531214
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3B2Ru5
_chemical_formula_sum   'Nb6 B4 Ru10'
_cell_volume   267.99692280
_cell_formula_units_Z   2
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  0.82356558  0.67643442  0.00000000  1.0
  Nb  Nb1  1  0.17643442  0.32356558  -0.00000000  1.0
  Nb  Nb2  1  0.32356558  0.82356558  -0.00000000  1.0
  Nb  Nb3  1  0.67643442  0.17643442  0.00000000  1.0
  Nb  Nb4  1  0.50000000  0.50000000  0.00000000  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.00000000  1.0
  B  B6  1  0.62114694  0.87885306  0.00000000  1.0
  B  B7  1  0.37885306  0.12114694  -0.00000000  1.0
  B  B8  1  0.12114694  0.62114694  -0.00000000  1.0
  B  B9  1  0.87885306  0.37885306  0.00000000  1.0
  Ru  Ru10  1  0.57113963  0.71911597  0.50000000  1.0
  Ru  Ru11  1  0.42886037  0.28088403  0.50000000  1.0
  Ru  Ru12  1  0.07113963  0.78088403  0.50000000  1.0
  Ru  Ru13  1  0.92886037  0.21911597  0.50000000  1.0
  Ru  Ru14  1  0.28088403  0.57113963  0.50000000  1.0
  Ru  Ru15  1  0.71911597  0.42886037  0.50000000  1.0
  Ru  Ru16  1  0.21911597  0.07113963  0.50000000  1.0
  Ru  Ru17  1  0.78088403  0.92886037  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