data_Mg2MnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74
_cell_length_b   9.74
_cell_length_c   9.74
_cell_angle_alpha   17.33
_cell_angle_beta   17.33
_cell_angle_gamma   17.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2MnCd
_chemical_formula_sum   'Mg2 Mn1 Cd1'
_cell_volume   71.49
_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  Mg1  1  0.0  0.0  0.29  1.0
  Mg  Mg2  1  0.0  0.0  0.47  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.38  1.0

data_Mg2MnCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   2.93
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   100.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2MnCd
_chemical_formula_sum   'Mg4 Mn2 Cd2'
_cell_volume   142.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.53  1.0
  Mg  Mg1  2  -0.0  0.0  0.71  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0
  Cd  Cd3  2  -0.0  0.0  0.62  1.0

Mg Mg Mn Cd
Mg Mg Mn Cd 0 3 o o o 0 2 o o o 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 
Mg2MnCd crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2MnCd clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Mn(1) and one Cd(1) atom. The Mg(1)-Mn(1) bond length is 2.86 Å. The Mg(1)-Cd(1) bond length is 0.86 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Cd(1) atom. The Mg(2)-Cd(1) bond length is 0.86 Å. Mn(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. Cd(1) is bonded in a linear geometry to one Mg(1) and one Mg(2) atom.