data_Be5Nb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   95.06
_cell_angle_beta   95.06
_cell_angle_gamma   145.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be5Nb4
_chemical_formula_sum   'Be5 Nb4'
_cell_volume   117.55
_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  0.0  0.0  0.0  1.0
  Be  Be1  1  0.8  0.2  0.79  1.0
  Be  Be2  1  0.2  0.8  0.79  1.0
  Be  Be3  1  0.85  0.85  0.0  1.0
  Be  Be4  1  0.2  0.2  0.79  1.0
  Nb  Nb5  1  0.0  0.61  0.0  1.0
  Nb  Nb6  1  0.0  0.5  0.0  1.0
  Nb  Nb7  1  0.5  0.0  0.0  1.0
  Nb  Nb8  1  0.61  0.0  0.0  1.0

data_Be5Nb4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.57
_cell_length_b   11.48
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   107.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be5Nb4
_chemical_formula_sum   'Be10 Nb8'
_cell_volume   235.09
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.29  0.3  0.79  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Be  Be2  2  0.08  0.5  0.79  1.0
  Be  Be3  2  0.15  0.0  -0.0  1.0
  Nb  Nb4  4  0.19  0.19  0.0  1.0
  Nb  Nb5  4  0.25  0.25  0.0  1.0

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