data_BeCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   6.83
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2
_chemical_formula_sum   'Be2 Cd4'
_cell_volume   119.72
_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  0.0  0.0  1.0
  Be  Be1  1  0.98  0.41  0.47  1.0
  Cd  Cd2  1  0.38  0.73  0.0  1.0
  Cd  Cd3  1  0.57  0.1  0.0  1.0
  Cd  Cd4  1  0.36  0.51  0.47  1.0
  Cd  Cd5  1  0.6  0.31  0.47  1.0

data_BeCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.96
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCd2
_chemical_formula_sum   'Be2 Cd4'
_cell_volume   119.72
_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  0.0  0.0  1.0
  Be  Be1  1  0.47  0.98  0.41  1.0
  Cd  Cd2  1  0.0  0.38  0.73  1.0
  Cd  Cd3  1  0.0  0.57  0.1  1.0
  Cd  Cd4  1  0.47  0.36  0.51  1.0
  Cd  Cd5  1  0.47  0.6  0.31  1.0

Be Be Cd Cd Cd Cd
BeCd2 crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a bent 150 degrees geometry to one Cd(1) and one Cd(2) atom. The Be(1)-Cd(1) bond length is 2.94 Å. The Be(1)-Cd(2) bond length is 2.62 Å. In the second Be site, Be(2) is bonded in a linear geometry to one Cd(3) and one Cd(4) atom. The Be(2)-Cd(3) bond length is 2.37 Å. The Be(2)-Cd(4) bond length is 2.37 Å. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a 4-coordinate geometry to one Be(1), one Cd(2), and two equivalent Cd(3) atoms. The Cd(1)-Cd(2) bond length is 2.79 Å. There is one shorter (2.03 Å) and one longer (2.14 Å) Cd(1)-Cd(3) bond length. In the second Cd site, Cd(2) is bonded in a 4-coordinate geometry to one Be(1), one Cd(1), and two equivalent Cd(4) atoms. There is one shorter (2.03 Å) and one longer (2.14 Å) Cd(2)-Cd(4) bond length. In the third Cd site, Cd(3) is bonded to one Be(2), one Cd(4), and two equivalent Cd(1) atoms to form distorted corner-sharing CdBeCd3 tetrahedra. The Cd(3)-Cd(4) bond length is 1.96 Å. In the fourth Cd site, Cd(4) is bonded to one Be(2), one Cd(3), and two equivalent Cd(2) atoms to form distorted corner-sharing CdBeCd3 tetrahedra.