data_TiSb2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Pd
_chemical_formula_sum   'Ti1 Sb2 Pd1'
_cell_volume   87.95
_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  0.73  1.0
  Sb  Sb1  1  0.0  0.0  0.14  1.0
  Sb  Sb2  1  0.58  0.58  0.72  1.0
  Pd  Pd0  1  0.58  0.58  0.32  1.0

data_TiSb2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   8.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiSb2Pd
_chemical_formula_sum   'Ti2 Sb4 Pd2'
_cell_volume   175.91
_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  0.73  1.0
  Sb  Sb1  2  0.0  0.0  0.14  1.0
  Sb  Sb2  2  0.08  0.5  0.72  1.0
  Pd  Pd3  2  0.08  0.5  0.32  1.0

Ti Sb Sb Pd
Ti Sb Sb Pd 0 2 - - o 0 2 - o o 0 2 o - o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 1 + o o 1 1 o + o 3 3 + o o 3 3 o + o 
TiPdSb2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 5-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. The Ti(1)-Sb(1) bond length is 3.52 Å. There are a spread of Ti(1)-Sb(2) bond distances ranging from 1.87-2.62 Å. Pd(1) is bonded in a 9-coordinate geometry to four equivalent Pd(1), one Sb(2), and four equivalent Sb(1) atoms. All Pd(1)-Pd(1) bond lengths are 3.17 Å. The Pd(1)-Sb(2) bond length is 3.52 Å. There are a spread of Pd(1)-Sb(1) bond distances ranging from 2.48-3.09 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 9-coordinate geometry to one Ti(1), four equivalent Pd(1), and four equivalent Sb(1) atoms. All Sb(1)-Sb(1) bond lengths are 3.17 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to four equivalent Ti(1) and one Pd(1) atom.