data_MgTi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   146.19
_cell_angle_beta   127.58
_cell_angle_gamma   63.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2
_chemical_formula_sum   'Mg1 Ti2'
_cell_volume   52.43
_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  0.0  0.0  0.72  1.0
  Ti  Ti2  1  0.0  0.0  0.66  1.0

data_MgTi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.36
_cell_length_c   4.94
_cell_angle_alpha   116.21
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi2
_chemical_formula_sum   'Mg1 Ti2'
_cell_volume   52.43
_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  0.0  0.66  0.66  1.0
  Ti  Ti2  1  0.0  0.72  0.72  1.0

Mg Ti Ti
MgTi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTi2 cluster. Mg(1) is bonded in a single-bond geometry to one Ti(1) atom. The Mg(1)-Ti(1) bond length is 1.40 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a linear geometry to one Mg(1) and one Ti(2) atom. The Ti(1)-Ti(2) bond length is 0.26 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) atom.