data_TiPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt3
_chemical_formula_sum   'Ti2 Pt6'
_cell_volume   122.34
_cell_formula_units_Z   2
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
  Ti  Ti6  1  0.8  0.62  0.38  1.0
  Ti  Ti7  1  0.0  0.23  0.13  1.0
  Pt  Pt0  1  0.0  0.62  0.38  1.0
  Pt  Pt1  1  0.61  0.04  0.38  1.0
  Pt  Pt2  1  0.39  0.04  0.38  1.0
  Pt  Pt3  1  0.41  0.81  0.13  1.0
  Pt  Pt4  1  0.19  0.81  0.13  1.0
  Pt  Pt5  1  0.8  0.23  0.13  1.0

data_TiPt3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.5
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TiPt3
_chemical_formula_sum   'Ti2 Pt6'
_cell_volume   122.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ti  Ti0  2  0.13  0.4  0.19  1.0
  Pt  Pt1  2  0.13  0.21  0.61  1.0
  Pt  Pt2  2  0.13  0.6  0.2  1.0
  Pt  Pt3  2  0.13  0.99  0.61  1.0

Ti Ti Pt Pt Pt Pt Pt Pt
Pt3Ti crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Pt3Ti clusters. Ti(1) is bonded in a single-bond geometry to one Pt(1) atom. The Ti(1)-Pt(1) bond length is 1.10 Å. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Pt(2) atom. The Pt(1)-Pt(2) bond length is 1.56 Å. In the second Pt site, Pt(2) is bonded in a 2-coordinate geometry to one Pt(1) and one Pt(3) atom. The Pt(2)-Pt(3) bond length is 1.20 Å. In the third Pt site, Pt(3) is bonded in a 1-coordinate geometry to one Pt(2) atom.