# generated using pymatgen
data_BeNb3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38774872
_cell_length_b   6.40348513
_cell_length_c   3.32117880
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb3B
_chemical_formula_sum   'Be2 Nb6 B2'
_cell_volume   135.84901255
_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
  Be  Be0  1  0.10797636  0.60635842  0.00000000  1.0
  Be  Be1  1  0.60797636  0.89364158  0.00000000  1.0
  Nb  Nb2  1  0.00268087  0.00335719  0.00000000  1.0
  Nb  Nb3  1  0.50268087  0.49664281  0.00000000  1.0
  Nb  Nb4  1  0.32034689  0.82976852  0.50000000  1.0
  Nb  Nb5  1  0.82034689  0.67023148  0.50000000  1.0
  Nb  Nb6  1  0.18016594  0.31401385  0.50000000  1.0
  Nb  Nb7  1  0.68016594  0.18598615  0.50000000  1.0
  B  B8  1  0.38882994  0.11373182  0.00000000  1.0
  B  B9  1  0.88882994  0.38626818  0.00000000  1.0