data_TiB2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   3.02
_cell_angle_alpha   107.61
_cell_angle_beta   107.61
_cell_angle_gamma   93.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiB2Pt
_chemical_formula_sum   'Ti1 B2 Pt1'
_cell_volume   47.75
_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  Ti3  1  0.0  0.0  0.0  1.0
  B  B0  1  0.77  0.53  0.36  1.0
  B  B1  1  0.77  0.47  0.36  1.0
  Pt  Pt2  1  0.88  0.0  0.0  1.0

data_TiB2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.2
_cell_length_c   4.2
_cell_angle_alpha   93.54
_cell_angle_beta   107.61
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiB2Pt
_chemical_formula_sum   'Ti1 B2 Pt1'
_cell_volume   47.75
_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  0.0  1.0
  B  B1  1  0.36  0.77  0.47  1.0
  B  B2  1  0.36  0.77  0.53  1.0
  Pt  Pt3  1  -0.0  0.88  0.0  1.0

Ti B B Pt
Ti B B Pt 0 3 - o o 1 2 o o o 
TiPtB2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiPtB2 cluster. Ti(1) is bonded in a single-bond geometry to one Pt(1) atom. The Ti(1)-Pt(1) bond length is 0.52 Å. Pt(1) is bonded in a single-bond geometry to one Ti(1) and one B(2) atom. The Pt(1)-B(2) bond length is 2.09 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted single-bond geometry to one B(2) atom. The B(1)-B(2) bond length is 0.25 Å. In the second B site, B(2) is bonded in a distorted bent 150 degrees geometry to one Pt(1) and one B(1) atom.