data_TiPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPd2Cl
_chemical_formula_sum   'Ti1 Pd2 Cl1'
_cell_volume   68.53
_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  0.23  1.0
  Pd  Pd1  1  0.63  0.63  0.84  1.0
  Pd  Pd2  1  0.63  0.63  0.62  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TiPd2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiPd2Cl
_chemical_formula_sum   'Ti2 Pd4 Cl2'
_cell_volume   137.05
_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  0.23  1.0
  Pd  Pd1  2  0.13  0.5  0.62  1.0
  Pd  Pd2  2  0.13  0.5  0.84  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Ti Pd Pd Cl
Ti Pd Pd Cl 0 3 o o o 1 2 o o o 
TiPd2Cl crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a single-bond geometry to one Pd(2) and one Cl(1) atom. The Ti(1)-Pd(2) bond length is 3.04 Å. The Ti(1)-Cl(1) bond length is 1.50 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to one Pd(2) and three equivalent Cl(1) atoms. The Pd(1)-Pd(2) bond length is 1.44 Å. There is one shorter (1.99 Å) and two longer (2.58 Å) Pd(1)-Cl(1) bond lengths. In the second Pd site, Pd(2) is bonded in a 2-coordinate geometry to one Ti(1) and one Pd(1) atom. Cl(1) is bonded in a 2-coordinate geometry to one Ti(1) and three equivalent Pd(1) atoms.