data_BeNb2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   149.19
_cell_angle_beta   127.52
_cell_angle_gamma   62.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Cd
_chemical_formula_sum   'Be1 Nb2 Cd1'
_cell_volume   65.8
_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  0.72  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Nb  Nb3  1  0.45  0.0  0.63  1.0
  Cd  Cd1  1  0.0  0.42  0.02  1.0

data_BeNb2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.83
_cell_length_c   5.47
_cell_angle_alpha   116.24
_cell_angle_beta   105.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Cd
_chemical_formula_sum   'Be1 Nb2 Cd1'
_cell_volume   65.8
_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  0.28  0.28  0.28  1.0
  Nb  Nb1  1  0.83  0.37  0.83  1.0
  Nb  Nb2  1  1.0  1.0  1.0  1.0
  Cd  Cd3  1  0.98  0.4  0.4  1.0

Be Nb Nb Cd
BeNb2Cd crystallizes in the triclinic P1 space group. Be(1) is bonded in a 3-coordinate geometry to one Nb(1), two equivalent Nb(2), and two equivalent Cd(1) atoms. The Be(1)-Nb(1) bond length is 1.55 Å. There is one shorter (2.72 Å) and one longer (2.81 Å) Be(1)-Nb(2) bond length. There is one shorter (1.21 Å) and one longer (1.96 Å) Be(1)-Cd(1) bond length. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted single-bond geometry to one Be(1) and two equivalent Nb(2) atoms. There is one shorter (2.38 Å) and one longer (2.74 Å) Nb(1)-Nb(2) bond length. In the second Nb site, Nb(2) is bonded in a 9-coordinate geometry to two equivalent Be(1), two equivalent Nb(1), two equivalent Nb(2), and three equivalent Cd(1) atoms. Both Nb(2)-Nb(2) bond lengths are 2.91 Å. There are a spread of Nb(2)-Cd(1) bond distances ranging from 2.55-2.98 Å. Cd(1) is bonded in a 1-coordinate geometry to two equivalent Be(1) and three equivalent Nb(2) atoms.