data_MgCdNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   2.89
_cell_angle_alpha   91.15
_cell_angle_beta   91.15
_cell_angle_gamma   102.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdNi2
_chemical_formula_sum   'Mg1 Cd1 Ni2'
_cell_volume   58.37
_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  0.0  1.0
  Cd  Cd0  1  0.84  0.0  0.0  1.0
  Ni  Ni2  1  0.38  0.22  0.44  1.0
  Ni  Ni3  1  0.38  0.78  0.44  1.0

data_MgCdNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   102.77
_cell_angle_beta   91.15
_cell_angle_gamma   91.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCdNi2
_chemical_formula_sum   'Mg1 Cd1 Ni2'
_cell_volume   58.37
_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
  Cd  Cd1  1  -0.0  0.84  0.0  1.0
  Ni  Ni2  1  0.44  0.38  0.22  1.0
  Ni  Ni3  1  0.44  0.38  0.78  1.0

Mg Cd Ni Ni
Mg Cd Ni Ni 0 1 - o o 0 2 o o o 0 2 o o - 0 3 o - o 0 3 o - - 1 3 o - o 1 3 o - - 2 3 o - o 2 3 o o o 
MgNi2Cd crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted single-bond geometry to two equivalent Ni(1), two equivalent Ni(2), and one Cd(1) atom. There is one shorter (2.16 Å) and one longer (2.44 Å) Mg(1)-Ni(1) bond length. There is one shorter (2.51 Å) and one longer (2.71 Å) Mg(1)-Ni(2) bond length. The Mg(1)-Cd(1) bond length is 0.72 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and two equivalent Ni(2) atoms. There is one shorter (2.01 Å) and one longer (2.55 Å) Ni(1)-Ni(2) bond length. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Ni(1), two equivalent Ni(2), and two equivalent Cd(1) atoms. Both Ni(2)-Ni(2) bond lengths are 2.89 Å. There is one shorter (2.53 Å) and one longer (2.64 Å) Ni(2)-Cd(1) bond length. Cd(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent Ni(2) atoms.