data_MgCdCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.95
_cell_angle_alpha   100.82
_cell_angle_beta   100.82
_cell_angle_gamma   35.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdCu2
_chemical_formula_sum   'Mg1 Cd1 Cu2'
_cell_volume   64.46
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.05  0.0  0.43  1.0
  Cu  Cu1  1  0.57  0.0  0.16  1.0
  Cu  Cu2  1  0.54  0.0  0.69  1.0

data_MgCdCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.77
_cell_length_c   4.95
_cell_angle_alpha   100.82
_cell_angle_beta   90.0
_cell_angle_gamma   107.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdCu2
_chemical_formula_sum   'Mg1 Cd1 Cu2'
_cell_volume   64.46
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.95  0.57  1.0
  Cu  Cu2  1  0.0  0.43  0.84  1.0
  Cu  Cu3  1  0.0  0.46  0.31  1.0

Mg Cd Cu Cu
Mg Cd Cu Cu 0 3 - o - 0 2 - o o 0 2 o o o 0 1 o o o 1 2 - o o 1 3 o o o 2 3 o o - 2 3 o o o 
MgCu2Cd crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one Cu(2), four equivalent Cu(1), and two equivalent Cd(1) atoms. The Mg(1)-Cu(2) bond length is 2.43 Å. There are a spread of Mg(1)-Cu(1) bond distances ranging from 2.33-3.30 Å. There is one shorter (2.07 Å) and one longer (2.90 Å) Mg(1)-Cd(1) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), two equivalent Cu(1), two equivalent Cu(2), and three equivalent Cd(1) atoms. Both Cu(1)-Cu(1) bond lengths are 2.93 Å. There is one shorter (2.28 Å) and one longer (2.67 Å) Cu(1)-Cu(2) bond length. There are a spread of Cu(1)-Cd(1) bond distances ranging from 2.43-3.22 Å. In the second Cu site, Cu(2) is bonded in a 2-coordinate geometry to one Mg(1), two equivalent Cu(1), and one Cd(1) atom. The Cu(2)-Cd(1) bond length is 2.43 Å. Cd(1) is bonded in a 1-coordinate geometry to two equivalent Mg(1), one Cu(2), and three equivalent Cu(1) atoms.