data_Mg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.25
_cell_length_b   8.25
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   157.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Cd
_chemical_formula_sum   'Mg4 Cd2'
_cell_volume   132.25
_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
  Mg  Mg0  1  0.6  0.9  0.27  1.0
  Mg  Mg1  1  0.6  0.52  0.27  1.0
  Mg  Mg2  1  0.6  0.48  0.82  1.0
  Mg  Mg3  1  0.6  0.1  0.82  1.0
  Cd  Cd4  1  0.6  0.28  0.27  1.0
  Cd  Cd5  1  0.6  0.72  0.82  1.0

data_Mg2Cd
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.21
_cell_length_b   5.1
_cell_length_c   8.25
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Mg2Cd
_chemical_formula_sum   'Mg4 Cd2'
_cell_volume   132.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.1  0.73  0.1  1.0
  Mg  Mg1  2  0.48  0.73  0.48  1.0
  Cd  Cd2  2  0.28  0.27  0.28  1.0

Mg Mg Mg Mg Cd Cd
Mg2Cd crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one Mg(2), four equivalent Mg(1), and three equivalent Cd(1) atoms. The Mg(1)-Mg(2) bond length is 3.13 Å. There are a spread of Mg(1)-Mg(1) bond distances ranging from 2.86-3.27 Å. There are a spread of Mg(1)-Cd(1) bond distances ranging from 2.73-3.17 Å. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Mg(1) and one Cd(1) atom. The Mg(2)-Cd(1) bond length is 1.95 Å. Cd(1) is bonded in a distorted single-bond geometry to one Mg(2) and three equivalent Mg(1) atoms.