data_BeCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCu2
_chemical_formula_sum   'Be1 Cd1 Cu2'
_cell_volume   52.05
_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  0.6  1.0
  Cd  Cd1  1  0.94  0.0  0.71  1.0
  Cu  Cu2  1  0.0  0.0  0.22  1.0
  Cu  Cu3  1  0.94  0.0  0.66  1.0

data_BeCdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCu2
_chemical_formula_sum   'Be1 Cd1 Cu2'
_cell_volume   52.05
_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  0.6  1.0
  Cd  Cd1  1  0.94  0.0  0.71  1.0
  Cu  Cu2  1  0.0  0.0  0.22  1.0
  Cu  Cu3  1  0.94  0.0  0.66  1.0

Be Cd Cu Cu
Be Cd Cu Cu 0 3 - o o 0 2 o o o 1 3 o o o 1 2 + o + 1 2 + o o 2 2 o + o 2 2 + o o 2 3 - o o 
BeCu2Cd crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to one Cu(1) and one Cu(2) atom. The Be(1)-Cu(1) bond length is 2.48 Å. The Be(1)-Cu(2) bond length is 0.45 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Be(1), four equivalent Cu(1), and one Cd(1) atom to form a mixture of distorted edge and corner-sharing CuBeCdCu4 octahedra. The corner-sharing octahedra are not tilted. All Cu(1)-Cu(1) bond lengths are 2.84 Å. The Cu(1)-Cd(1) bond length is 3.25 Å. In the second Cu site, Cu(2) is bonded in a bent 150 degrees geometry to one Be(1) and one Cd(1) atom. The Cu(2)-Cd(1) bond length is 0.32 Å. Cd(1) is bonded in a single-bond geometry to one Cu(1) and one Cu(2) atom.