# generated using pymatgen
data_Nb3CrB3Ru2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12777132
_cell_length_b   6.35647294
_cell_length_c   10.83745618
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3CrB3Ru2
_chemical_formula_sum   'Nb6 Cr2 B6 Ru4'
_cell_volume   215.46590112
_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  0.00000000  0.27266436  0.95096033  1.0
  Nb  Nb1  1  0.00000000  0.72733564  0.04903967  1.0
  Nb  Nb2  1  0.00000000  0.27266436  0.54903967  1.0
  Nb  Nb3  1  0.00000000  0.72733564  0.45096033  1.0
  Nb  Nb4  1  0.00000000  0.36249944  0.25000000  1.0
  Nb  Nb5  1  0.00000000  0.63750056  0.75000000  1.0
  Cr  Cr6  1  0.50000000  0.69863740  0.25000000  1.0
  Cr  Cr7  1  0.50000000  0.30136260  0.75000000  1.0
  B  B8  1  0.00000000  0.94095434  0.25000000  1.0
  B  B9  1  0.00000000  0.05904566  0.75000000  1.0
  B  B10  1  0.50000000  0.45250104  0.08558656  1.0
  B  B11  1  0.50000000  0.54749896  0.91441344  1.0
  B  B12  1  0.50000000  0.45250104  0.41441344  1.0
  B  B13  1  0.50000000  0.54749896  0.58558656  1.0
  Ru  Ru14  1  0.50000000  0.07295513  0.12397274  1.0
  Ru  Ru15  1  0.50000000  0.92704487  0.87602726  1.0
  Ru  Ru16  1  0.50000000  0.07295513  0.37602726  1.0
  Ru  Ru17  1  0.50000000  0.92704487  0.62397274  1.0