data_YTa2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Pd
_chemical_formula_sum   'Y1 Ta2 Pd1'
_cell_volume   80.48
_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  Y3  1  0.0  0.0  0.07  1.0
  Ta  Ta1  1  0.0  0.0  0.91  1.0
  Ta  Ta2  1  0.58  0.58  0.76  1.0
  Pd  Pd0  1  0.58  0.58  0.31  1.0

data_YTa2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTa2Pd
_chemical_formula_sum   'Y2 Ta4 Pd2'
_cell_volume   160.95
_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
  Y  Y0  2  0.0  0.0  0.07  1.0
  Ta  Ta1  2  0.0  0.0  0.91  1.0
  Ta  Ta2  2  0.08  0.5  0.76  1.0
  Pd  Pd3  2  0.08  0.5  0.31  1.0

Y Ta Ta Pd
Y Ta Ta Pd 0 1 o o - 0 3 o o o 0 3 o - o 0 3 - o o 0 3 - - o 1 2 o - o 1 2 - o o 1 2 - - o 3 3 + o o 3 3 o + o 
YTa2Pd crystallizes in the monoclinic Cm space group. Y(1) is bonded in a distorted single-bond geometry to one Ta(1) and four Pd(1,1) atoms. The Y(1)-Ta(1) bond length is 1.31 Å. There are a spread of Y(1)-Pd(1,1) bond distances ranging from 2.69-3.25 Å. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a single-bond geometry to one Y(1) and four equivalent Ta(2) atoms. There are a spread of Ta(1)-Ta(2) bond distances ranging from 2.21-2.87 Å. In the second Ta site, Ta(2) is bonded in a 5-coordinate geometry to four equivalent Ta(1) and one Pd(1) atom. The Ta(2)-Pd(1) bond length is 3.60 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Ta(2), and four equivalent Pd(1) atoms. All Pd(1)-Pd(1) bond lengths are 3.17 Å. In the second Pd site, Pd(1) is bonded in a 9-coordinate geometry to four equivalent Y(1), one Ta(2), and four equivalent Pd(1) atoms. The Pd(1)-Ta(2) bond length is 3.60 Å.