data_Ti2TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.42
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlPt
_chemical_formula_sum   'Ti2 Tl1 Pt1'
_cell_volume   71.49
_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
  Ti  Ti1  1  0.65  0.71  0.24  1.0
  Ti  Ti2  1  0.0  0.0  0.48  1.0
  Tl  Tl3  1  0.65  0.71  0.15  1.0
  Pt  Pt0  1  0.0  0.0  0.93  1.0

data_Ti2TlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.42
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlPt
_chemical_formula_sum   'Ti2 Tl1 Pt1'
_cell_volume   71.49
_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
  Ti  Ti0  1  0.0  0.0  0.48  1.0
  Ti  Ti1  1  0.65  0.71  0.24  1.0
  Tl  Tl2  1  0.65  0.71  0.15  1.0
  Pt  Pt3  1  0.0  0.0  0.93  1.0

Ti Ti Tl Pt
Ti2PtTl crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Ti(2) and one Tl(1) atom. The Ti(1)-Ti(2) bond length is 2.18 Å. The Ti(1)-Tl(1) bond length is 0.55 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Ti(1) and one Pt(1) atom. The Ti(2)-Pt(1) bond length is 2.80 Å. Pt(1) is bonded in a 4-coordinate geometry to one Ti(2) and three equivalent Tl(1) atoms. There are a spread of Pt(1)-Tl(1) bond distances ranging from 2.06-3.03 Å. Tl(1) is bonded in a 2-coordinate geometry to one Ti(1) and three equivalent Pt(1) atoms.