# generated using pymatgen
data_NbBRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17466400
_cell_length_b   6.41130900
_cell_length_c   10.96051200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbBRu
_chemical_formula_sum   'Nb6 B6 Ru6'
_cell_volume   223.08754167
_cell_formula_units_Z   6
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  0.00000000  0.27801100  0.95629700  1.0
  Nb  Nb1  1  0.00000000  0.72198900  0.04370300  1.0
  Nb  Nb2  1  0.00000000  0.27801100  0.54370300  1.0
  Nb  Nb3  1  0.00000000  0.72198900  0.45629700  1.0
  Nb  Nb4  1  0.00000000  0.35670200  0.25000000  1.0
  Nb  Nb5  1  0.00000000  0.64329800  0.75000000  1.0
  B  B6  1  0.00000000  0.95140300  0.25000000  1.0
  B  B7  1  0.00000000  0.04859700  0.75000000  1.0
  B  B8  1  0.50000000  0.45119900  0.08255300  1.0
  B  B9  1  0.50000000  0.54880100  0.91744700  1.0
  B  B10  1  0.50000000  0.45119900  0.41744700  1.0
  B  B11  1  0.50000000  0.54880100  0.58255300  1.0
  Ru  Ru12  1  0.50000000  0.07209100  0.12545000  1.0
  Ru  Ru13  1  0.50000000  0.92790900  0.87455000  1.0
  Ru  Ru14  1  0.50000000  0.07209100  0.37455000  1.0
  Ru  Ru15  1  0.50000000  0.92790900  0.62545000  1.0
  Ru  Ru16  1  0.50000000  0.70385300  0.25000000  1.0
  Ru  Ru17  1  0.50000000  0.29614700  0.75000000  1.0