data_MgTiIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   147.29
_cell_angle_beta   133.5
_cell_angle_gamma   58.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiIn
_chemical_formula_sum   'Mg1 Ti1 In1'
_cell_volume   61.77
_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  0.16  1.0
  Ti  Ti2  1  0.0  0.0  0.3  1.0
  In  In0  1  0.0  0.0  0.01  1.0

data_MgTiIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.28
_cell_length_c   5.42
_cell_angle_alpha   113.25
_cell_angle_beta   106.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiIn
_chemical_formula_sum   'Mg1 Ti1 In1'
_cell_volume   61.77
_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  0.84  0.84  0.84  1.0
  Ti  Ti1  1  0.7  0.7  0.7  1.0
  In  In2  1  0.99  0.99  0.99  1.0

Mg Ti In
Mg Ti In 0 2 o o o 0 1 o o o 
MgTiIn is Cyanogen Chloride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTiIn cluster. Mg(1) is bonded in a linear geometry to one Ti(1) and one In(1) atom. The Mg(1)-Ti(1) bond length is 0.76 Å. The Mg(1)-In(1) bond length is 0.79 Å. Ti(1) is bonded in a single-bond geometry to one Mg(1) atom. In(1) is bonded in a single-bond geometry to one Mg(1) atom.