data_TiAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.55
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   103.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Pd
_chemical_formula_sum   'Ti1 As2 Pd1'
_cell_volume   68.41
_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
  As  As0  1  0.58  0.77  0.39  1.0
  As  As1  1  0.06  0.77  0.84  1.0
  Pd  Pd2  1  0.27  0.0  0.12  1.0

data_TiAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.55
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   103.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Pd
_chemical_formula_sum   'Ti1 As2 Pd1'
_cell_volume   68.41
_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
  As  As1  1  0.06  0.77  0.84  1.0
  As  As2  1  0.58  0.77  0.39  1.0
  Pd  Pd3  1  0.27  0.0  0.12  1.0

Ti As As Pd
Ti As As Pd 0 3 o o o 0 2 o - - 1 3 o + o 
TiPdAs2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiPdAs2 cluster. Ti(1) is bonded in a distorted water-like geometry to one Pd(1) and one As(2) atom. The Ti(1)-Pd(1) bond length is 0.98 Å. The Ti(1)-As(2) bond length is 1.33 Å. Pd(1) is bonded in a single-bond geometry to one Ti(1) and one As(1) atom. The Pd(1)-As(1) bond length is 1.95 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a distorted single-bond geometry to one Pd(1) atom. In the second As site, As(2) is bonded in a single-bond geometry to one Ti(1) atom.