# generated using pymatgen
data_Be6Nb6CrRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14367876
_cell_length_b   6.58225692
_cell_length_c   11.42822643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be6Nb6CrRu5
_chemical_formula_sum   'Be6 Nb6 Cr1 Ru5'
_cell_volume   236.47858965
_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
  Be  Be0  1  0.00000000  0.95491773  0.25000000  1.0
  Be  Be1  1  0.00000000  0.04942406  0.75000000  1.0
  Be  Be2  1  0.50000000  0.44864379  0.08949766  1.0
  Be  Be3  1  0.50000000  0.55238219  0.91088975  1.0
  Be  Be4  1  0.50000000  0.44864379  0.41050234  1.0
  Be  Be5  1  0.50000000  0.55238219  0.58911025  1.0
  Nb  Nb6  1  0.00000000  0.25747706  0.95267262  1.0
  Nb  Nb7  1  0.00000000  0.74713618  0.04569859  1.0
  Nb  Nb8  1  0.00000000  0.25747706  0.54732738  1.0
  Nb  Nb9  1  0.00000000  0.74713618  0.45430141  1.0
  Nb  Nb10  1  0.00000000  0.34609372  0.25000000  1.0
  Nb  Nb11  1  0.00000000  0.64939120  0.75000000  1.0
  Cr  Cr12  1  0.50000000  0.69519460  0.25000000  1.0
  Ru  Ru13  1  0.50000000  0.07260991  0.12110997  1.0
  Ru  Ru14  1  0.50000000  0.92224837  0.87817124  1.0
  Ru  Ru15  1  0.50000000  0.07260991  0.37889003  1.0
  Ru  Ru16  1  0.50000000  0.92224837  0.62182876  1.0
  Ru  Ru17  1  0.50000000  0.30398569  0.75000000  1.0