data_BeCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   145.64
_cell_angle_beta   128.2
_cell_angle_gamma   63.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCu2
_chemical_formula_sum   'Be1 Cd1 Cu2'
_cell_volume   52.53
_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
  Cd  Cd1  1  0.0  0.0  0.19  1.0
  Cu  Cu2  1  0.0  0.15  0.36  1.0
  Cu  Cu3  1  0.46  0.0  0.83  1.0

data_BeCdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.31
_cell_length_c   4.93
_cell_angle_alpha   115.9
_cell_angle_beta   107.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCdCu2
_chemical_formula_sum   'Be1 Cd1 Cu2'
_cell_volume   52.53
_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
  Cd  Cd1  1  0.0  0.19  0.19  1.0
  Cu  Cu2  1  0.0  0.83  0.37  1.0
  Cu  Cu3  1  0.85  0.21  0.21  1.0

Be Cd Cu Cu
BeCu2Cd crystallizes in the triclinic P1 space group. Be(1) is bonded in a single-bond geometry to two equivalent Cu(2) and one Cd(1) atom. There is one shorter (2.26 Å) and one longer (2.85 Å) Be(1)-Cu(2) bond length. The Be(1)-Cd(1) bond length is 0.93 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to two equivalent Cu(2) and one Cd(1) atom. There is one shorter (2.11 Å) and one longer (2.43 Å) Cu(1)-Cu(2) bond length. The Cu(1)-Cd(1) bond length is 0.48 Å. In the second Cu site, Cu(2) is bonded in a 8-coordinate geometry to two equivalent Be(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Cd(1) atoms. Both Cu(2)-Cu(2) bond lengths are 2.91 Å. There is one shorter (2.11 Å) and one longer (2.50 Å) Cu(2)-Cd(1) bond length. Cd(1) is bonded in a distorted bent 120 degrees geometry to one Be(1), one Cu(1), and two equivalent Cu(2) atoms.