data_Y2TcPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   121.73
_cell_angle_beta   119.91
_cell_angle_gamma   88.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcPd
_chemical_formula_sum   'Y2 Tc1 Pd1'
_cell_volume   82.77
_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
  Y  Y2  1  0.0  0.46  0.76  1.0
  Y  Y3  1  0.39  0.0  0.76  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.52  1.0

data_Y2TcPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.78
_cell_length_b   4.91
_cell_length_c   4.91
_cell_angle_alpha   60.09
_cell_angle_beta   60.87
_cell_angle_gamma   60.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcPd
_chemical_formula_sum   'Y2 Tc1 Pd1'
_cell_volume   82.77
_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
  Y  Y0  1  0.37  0.39  0.24  1.0
  Y  Y1  1  0.76  0.0  0.7  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.52  0.0  0.48  1.0

Y Y Tc Pd
Y2TcPd crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted linear geometry to one Tc(1) and one Pd(1) atom. The Y(1)-Tc(1) bond length is 2.27 Å. The Y(1)-Pd(1) bond length is 1.92 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Tc(1) and one Pd(1) atom. The Y(2)-Tc(1) bond length is 2.61 Å. The Y(2)-Pd(1) bond length is 1.69 Å. Tc(1) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Pd(1) atoms. There is one shorter (2.37 Å) and one longer (2.54 Å) Tc(1)-Pd(1) bond length. Pd(1) is bonded in a distorted water-like geometry to one Y(1), one Y(2), and two equivalent Tc(1) atoms.