data_Li2TiPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   2.8
_cell_angle_alpha   103.73
_cell_angle_beta   103.73
_cell_angle_gamma   123.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiPt
_chemical_formula_sum   'Li2 Ti1 Pt1'
_cell_volume   62.18
_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
  Li  Li0  1  0.62  0.44  0.21  1.0
  Li  Li1  1  0.62  0.56  0.21  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.63  0.0  0.0  1.0

data_Li2TiPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.56
_cell_length_c   5.54
_cell_angle_alpha   113.74
_cell_angle_beta   103.73
_cell_angle_gamma   92.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiPt
_chemical_formula_sum   'Li2 Ti1 Pt1'
_cell_volume   62.18
_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
  Li  Li0  1  0.65  0.44  0.05  1.0
  Li  Li1  1  0.78  0.56  0.18  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.63  1.0

Li Li Ti Pt
Li Li Ti Pt 0 1 o o o 0 2 + + + 0 3 o o o 1 2 + + + 1 2 + + o 1 3 o + o 2 3 - o o 
Li2TiPt crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one Li(2), one Ti(1), and one Pt(1) atom. The Li(1)-Li(2) bond length is 0.71 Å. The Li(1)-Ti(1) bond length is 2.68 Å. The Li(1)-Pt(1) bond length is 2.40 Å. In the second Li site, Li(2) is bonded in a 1-coordinate geometry to one Li(1) and two equivalent Ti(1) atoms. There is one shorter (2.20 Å) and one longer (2.52 Å) Li(2)-Ti(1) bond length. Ti(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Li(2), and one Pt(1) atom. The Ti(1)-Pt(1) bond length is 2.04 Å. Pt(1) is bonded in a 2-coordinate geometry to one Li(1) and one Ti(1) atom.