# generated using pymatgen
data_Be3Nb6B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46052283
_cell_length_b   6.46052283
_cell_length_c   3.35078957
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.95713698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Nb6B
_chemical_formula_sum   'Be3 Nb6 B1'
_cell_volume   139.85640618
_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  0.38795248  0.11470329  0.00000000  1.0
  Be  Be1  1  0.61470329  0.88795248  0.00000000  1.0
  Be  Be2  1  0.10545390  0.60545390  0.00000000  1.0
  Nb  Nb3  1  0.00055418  0.00348144  0.00000000  1.0
  Nb  Nb4  1  0.50348144  0.50055418  0.00000000  1.0
  Nb  Nb5  1  0.68965348  0.18965348  0.50000000  1.0
  Nb  Nb6  1  0.16962169  0.32284496  0.50000000  1.0
  Nb  Nb7  1  0.82284496  0.66962169  0.50000000  1.0
  Nb  Nb8  1  0.31734094  0.81734094  0.50000000  1.0
  B  B9  1  0.88839364  0.38839364  0.00000000  1.0