data_Mg2CdAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   137.86
_cell_angle_beta   137.86
_cell_angle_gamma   61.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdAs
_chemical_formula_sum   'Mg2 Cd1 As1'
_cell_volume   83.35
_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  Mg2  1  0.0  0.0  0.0  1.0
  Mg  Mg3  1  0.06  0.0  0.46  1.0
  Cd  Cd1  1  0.0  0.06  0.46  1.0
  As  As0  1  0.0  0.0  0.93  1.0

data_Mg2CdAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   5.72
_cell_angle_alpha   111.07
_cell_angle_beta   111.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CdAs
_chemical_formula_sum   'Mg2 Cd1 As1'
_cell_volume   83.35
_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
  Mg  Mg1  1  0.54  0.0  0.59  1.0
  Cd  Cd2  1  0.59  0.06  0.59  1.0
  As  As3  1  0.07  0.0  0.07  1.0

Mg Mg Cd As
MgCdMgAs is beta oxygen-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one cadmium--magnesium (1/1) molecule and one MgAs cluster. In the MgAs cluster, Mg(1) is bonded in a single-bond geometry to one As(1) atom. The Mg(1)-As(1) bond length is 0.42 Å. As(1) is bonded in a single-bond geometry to one Mg(1) atom.