data_TiInPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   19.83
_cell_angle_beta   19.83
_cell_angle_gamma   19.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInPd2
_chemical_formula_sum   'Ti1 In1 Pd2'
_cell_volume   70.24
_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
  In  In0  1  0.0  0.0  0.04  1.0
  Pd  Pd1  1  0.0  0.0  0.41  1.0
  Pd  Pd2  1  0.0  0.0  0.67  1.0

data_TiInPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   8.87
_cell_angle_alpha   90.0
_cell_angle_beta   101.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiInPd2
_chemical_formula_sum   'Ti2 In2 Pd4'
_cell_volume   140.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.96  1.0
  Pd  Pd2  2  0.0  0.0  0.33  1.0
  Pd  Pd3  2  0.0  0.0  0.59  1.0

Ti In Pd Pd
Pd2TiIn crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a single-bond geometry to one Pd(2) and one In(1) atom. The Ti(1)-Pd(2) bond length is 2.95 Å. The Ti(1)-In(1) bond length is 0.35 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted linear geometry to one Pd(2), six equivalent Pd(1), and one In(1) atom. The Pd(1)-Pd(2) bond length is 2.28 Å. All Pd(1)-Pd(1) bond lengths are 3.05 Å. The Pd(1)-In(1) bond length is 3.30 Å. In the second Pd site, Pd(2) is bonded in a distorted linear geometry to one Ti(1) and one Pd(1) atom. In(1) is bonded in a single-bond geometry to one Ti(1) and one Pd(1) atom.