data_Mg2ScCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ScCd
_chemical_formula_sum   'Mg2 Sc1 Cd1'
_cell_volume   88.17
_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  0.2  0.0  0.29  1.0
  Mg  Mg2  1  0.0  0.2  0.29  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.2  0.2  0.0  1.0

data_Mg2ScCd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2ScCd
_chemical_formula_sum   'Mg4 Sc2 Cd2'
_cell_volume   176.34
_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  4  0.1  0.1  0.29  1.0
  Sc  Sc1  2  0.0  0.0  0.0  1.0
  Cd  Cd2  2  0.2  0.0  0.0  1.0

Mg Mg Sc Cd
Mg Mg Sc Cd 0 1 o o o 2 3 o o o 
Mg2ScCd is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2ScCd clusters. Mg(1) is bonded in a 3-coordinate geometry to one Mg(1), one Sc(1), and one Cd(1) atom. The Mg(1)-Mg(1) bond length is 1.21 Å. The Mg(1)-Sc(1) bond length is 1.57 Å. The Mg(1)-Cd(1) bond length is 1.57 Å. Sc(1) is bonded in a distorted single-bond geometry to two equivalent Mg(1) and one Cd(1) atom. The Sc(1)-Cd(1) bond length is 1.21 Å. Cd(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Sc(1) atom.