data_Be2NbCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2NbCd
_chemical_formula_sum   'Be2 Nb1 Cd1'
_cell_volume   56.1
_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  0.43  0.43  0.71  1.0
  Be  Be1  1  0.43  0.43  0.17  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Cd  Cd2  1  0.0  0.0  0.44  1.0

data_Be2NbCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.04
_cell_length_b   4.04
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2NbCd
_chemical_formula_sum   'Be4 Nb2 Cd2'
_cell_volume   112.2
_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  2  0.43  0.0  0.17  1.0
  Be  Be1  2  0.43  0.0  0.71  1.0
  Nb  Nb2  2  0.0  0.0  0.0  1.0
  Cd  Cd3  2  0.0  0.0  0.44  1.0

Be Be Nb Cd
Be Be Nb Cd 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o + 0 2 o + + 0 2 + o + 0 2 + + + 0 0 + o o 0 0 o + o 0 1 o o + 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 2 3 o o o 3 3 + o o 3 3 o + o 
Be2NbCd crystallizes in the monoclinic Cm space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 8-coordinate geometry to four equivalent Nb(1) and four equivalent Cd(1) atoms. There are a spread of Be(1)-Nb(1) bond distances ranging from 2.64-3.05 Å. There are a spread of Be(1)-Cd(1) bond distances ranging from 2.53-2.96 Å. In the second Be site, Be(2) is bonded in a 8-coordinate geometry to four equivalent Nb(1) and four equivalent Cd(1) atoms. There are a spread of Be(2)-Nb(1) bond distances ranging from 2.09-2.60 Å. There are a spread of Be(2)-Cd(1) bond distances ranging from 2.53-2.96 Å. Nb(1) is bonded in a 3-coordinate geometry to four equivalent Be(1), four equivalent Be(2), and one Cd(1) atom. The Nb(1)-Cd(1) bond length is 3.04 Å. Cd(1) is bonded in a 13-coordinate geometry to four equivalent Be(1), four equivalent Be(2), one Nb(1), and four equivalent Cd(1) atoms. All Cd(1)-Cd(1) bond lengths are 2.86 Å.