data_MgTi2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Cd
_chemical_formula_sum   'Mg1 Ti2 Cd1'
_cell_volume   76.05
_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
  Ti  Ti2  1  0.46  0.21  0.48  1.0
  Ti  Ti3  1  0.46  0.79  0.48  1.0
  Cd  Cd0  1  0.91  0.0  0.0  1.0

data_MgTi2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   113.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2Cd
_chemical_formula_sum   'Mg1 Ti2 Cd1'
_cell_volume   76.05
_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
  Ti  Ti1  1  0.48  0.46  0.21  1.0
  Ti  Ti2  1  0.48  0.46  0.79  1.0
  Cd  Cd3  1  -0.0  0.91  0.0  1.0

Mg Ti Ti Cd
MgTi2Cd crystallizes in the triclinic P1 space group. Mg(1) is bonded in a single-bond geometry to two equivalent Ti(1), two equivalent Ti(2), and one Cd(1) atom. There is one shorter (2.63 Å) and one longer (2.71 Å) Mg(1)-Ti(1) bond length. There is one shorter (3.35 Å) and one longer (3.41 Å) Mg(1)-Ti(2) bond length. The Mg(1)-Cd(1) bond length is 0.46 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and two equivalent Ti(2) atoms. There is one shorter (2.24 Å) and one longer (3.05 Å) Ti(1)-Ti(2) bond length. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Ti(1), two equivalent Ti(2), and two equivalent Cd(1) atoms. Both Ti(2)-Ti(2) bond lengths are 2.95 Å. There is one shorter (2.63 Å) and one longer (2.71 Å) Ti(2)-Cd(1) bond length. Cd(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent Ti(2) atoms.