data_MgCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.33
_cell_angle_alpha   93.19
_cell_angle_beta   93.19
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2Cd
_chemical_formula_sum   'Mg1 Cr2 Cd1'
_cell_volume   62.28
_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  0.27  0.0  0.62  1.0
  Cr  Cr1  1  0.74  0.0  0.22  1.0
  Cr  Cr2  1  0.58  0.0  0.16  1.0
  Cd  Cd0  1  0.99  0.0  0.98  1.0

data_MgCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.65
_cell_length_b   4.61
_cell_length_c   5.33
_cell_angle_alpha   93.19
_cell_angle_beta   90.0
_cell_angle_gamma   106.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCr2Cd
_chemical_formula_sum   'Mg1 Cr2 Cd1'
_cell_volume   62.28
_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  0.73  0.38  1.0
  Cr  Cr1  1  0.0  0.26  0.78  1.0
  Cr  Cr2  1  0.0  0.42  0.84  1.0
  Cd  Cd3  1  0.0  0.01  0.02  1.0

Mg Cr Cr Cd
Mg Cr Cr Cd 0 0 + - o 0 3 - o o 0 2 o o o 1 2 o o o 1 3 o o - 2 3 o o - 
MgCr2Cd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgCr2Cd cluster. Mg(1) is bonded in a distorted single-bond geometry to one Cd(1) atom. The Mg(1)-Cd(1) bond length is 2.34 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted single-bond geometry to one Cr(2) and one Cd(1) atom. The Cr(1)-Cr(2) bond length is 0.79 Å. The Cr(1)-Cd(1) bond length is 1.80 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Cr(1) atom. Cd(1) is bonded in a distorted linear geometry to one Mg(1) and one Cr(1) atom.