data_Ti2CrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.12
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   92.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrPd
_chemical_formula_sum   'Ti2 Cr1 Pd1'
_cell_volume   58.49
_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  0.31  0.56  0.76  1.0
  Ti  Ti3  1  0.43  0.56  0.41  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.85  0.0  0.08  1.0

data_Ti2CrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.12
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   92.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CrPd
_chemical_formula_sum   'Ti2 Cr1 Pd1'
_cell_volume   58.49
_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  0.31  0.56  0.76  1.0
  Ti  Ti1  1  0.43  0.56  0.41  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.85  0.0  0.08  1.0

Ti Ti Cr Pd
Ti2CrPd crystallizes in the triclinic P1 space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 3-coordinate geometry to one Ti(2) and two equivalent Cr(1) atoms. The Ti(1)-Ti(2) bond length is 2.19 Å. There is one shorter (2.27 Å) and one longer (2.51 Å) Ti(1)-Cr(1) bond length. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Ti(1) and four equivalent Pd(1) atoms. There are a spread of Ti(2)-Pd(1) bond distances ranging from 2.80-3.14 Å. Cr(1) is bonded in a single-bond geometry to two equivalent Ti(1) and one Pd(1) atom. The Cr(1)-Pd(1) bond length is 0.71 Å. Pd(1) is bonded in a single-bond geometry to four equivalent Ti(2) and one Cr(1) atom.