data_MgTiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.74
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   91.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiSb2
_chemical_formula_sum   'Mg1 Ti1 Sb2'
_cell_volume   87.54
_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  Ti3  1  0.89  0.0  0.21  1.0
  Sb  Sb1  1  0.75  0.87  0.73  1.0
  Sb  Sb2  1  0.68  0.87  0.68  1.0

data_MgTiSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   3.74
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   91.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiSb2
_chemical_formula_sum   'Mg1 Ti1 Sb2'
_cell_volume   87.54
_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  0.89  0.0  0.21  1.0
  Sb  Sb2  1  0.68  0.87  0.68  1.0
  Sb  Sb3  1  0.75  0.87  0.73  1.0

Mg Ti Sb Sb
MgTiSb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTiSb2 cluster. Mg(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Sb(1) atom. The Mg(1)-Ti(1) bond length is 1.41 Å. The Mg(1)-Sb(1) bond length is 1.98 Å. Ti(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted linear geometry to one Mg(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 0.38 Å. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Sb(1) atom.