data_Ti2MoPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   4.58
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   102.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MoPd
_chemical_formula_sum   'Ti2 Mo1 Pd1'
_cell_volume   63.67
_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  Ti2  1  0.03  0.0  0.01  1.0
  Ti  Ti3  1  0.74  0.29  0.31  1.0
  Mo  Mo0  1  0.89  0.0  0.39  1.0
  Pd  Pd1  1  0.86  0.29  0.82  1.0

data_Ti2MoPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.58
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   102.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2MoPd
_chemical_formula_sum   'Ti2 Mo1 Pd1'
_cell_volume   63.67
_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  0.03  0.0  0.01  1.0
  Ti  Ti1  1  0.74  0.29  0.31  1.0
  Mo  Mo2  1  0.89  0.0  0.39  1.0
  Pd  Pd3  1  0.86  0.29  0.82  1.0

Ti Ti Mo Pd
Ti2MoPd crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ti2MoPd cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Pd(1) atom. The Ti(1)-Mo(1) bond length is 2.05 Å. The Ti(1)-Pd(1) bond length is 1.66 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Mo(1) atom. The Ti(2)-Mo(1) bond length is 1.44 Å. Mo(1) is bonded in a distorted single-bond geometry to one Ti(1) and one Ti(2) atom. Pd(1) is bonded in a single-bond geometry to one Ti(1) atom.