data_MgTiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.34
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiOs2
_chemical_formula_sum   'Mg1 Ti1 Os2'
_cell_volume   60.78
_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  0.64  0.0  0.79  1.0
  Ti  Ti3  1  0.78  0.17  0.53  1.0
  Os  Os1  1  0.02  0.17  0.05  1.0
  Os  Os2  1  0.66  0.0  0.23  1.0

data_MgTiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.34
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   105.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiOs2
_chemical_formula_sum   'Mg1 Ti1 Os2'
_cell_volume   60.78
_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  0.64  0.0  0.79  1.0
  Ti  Ti1  1  0.78  0.17  0.53  1.0
  Os  Os2  1  0.02  0.17  0.05  1.0
  Os  Os3  1  0.66  0.0  0.23  1.0

Mg Ti Os Os
Mg Ti Os Os 0 1 o o o 0 2 + o + 1 3 o o o 2 3 - o o 2 3 o o o 
MgTiOs2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgTiOs2 cluster. Mg(1) is bonded in a distorted water-like geometry to one Ti(1) and one Os(1) atom. The Mg(1)-Ti(1) bond length is 1.67 Å. The Mg(1)-Os(1) bond length is 1.68 Å. Ti(1) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Os(2) atom. The Ti(1)-Os(2) bond length is 1.71 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the second Os site, Os(2) is bonded in a distorted single-bond geometry to one Ti(1) atom.