data_Be2Nb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   3.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Nb3
_chemical_formula_sum   'Be4 Nb6'
_cell_volume   142.89
_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  1.0  0.74  0.0  1.0
  Be  Be1  1  0.74  0.52  0.0  1.0
  Be  Be2  1  0.78  1.0  0.0  1.0
  Be  Be3  1  0.52  0.78  0.0  1.0
  Nb  Nb4  1  0.0  0.0  0.0  1.0
  Nb  Nb5  1  0.26  0.26  0.0  1.0
  Nb  Nb6  1  0.09  0.17  0.68  1.0
  Nb  Nb7  1  0.35  0.09  0.68  1.0
  Nb  Nb8  1  0.17  0.42  0.68  1.0
  Nb  Nb9  1  0.42  0.35  0.68  1.0

data_Be2Nb3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2Nb3
_chemical_formula_sum   'Be4 Nb6'
_cell_volume   142.89
_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  0.0  0.52  0.78  1.0
  Be  Be1  1  0.0  0.74  0.52  1.0
  Be  Be2  1  0.0  0.78  1.0  1.0
  Be  Be3  1  0.0  1.0  0.74  1.0
  Nb  Nb4  1  0.0  0.0  0.0  1.0
  Nb  Nb5  1  0.0  0.26  0.26  1.0
  Nb  Nb6  1  0.68  0.09  0.17  1.0
  Nb  Nb7  1  0.68  0.17  0.42  1.0
  Nb  Nb8  1  0.68  0.35  0.09  1.0
  Nb  Nb9  1  0.68  0.42  0.35  1.0

Be Be Be Be Nb Nb Nb Nb Nb Nb
Be Be Be Be Nb Nb Nb Nb Nb Nb 0 4 + + o 0 1 o o o 1 9 o o - 1 3 o o o 2 4 + + o 2 3 o o o 3 7 o + - 4 6 o o - 5 6 o o - 5 8 o o - 5 7 o o - 5 9 o o - 6 7 o o o 6 8 o o o 7 9 o o o 8 9 o o o 