data_SbPd2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   4.83
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   103.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPd2Se
_chemical_formula_sum   'Sb1 Pd2 Se1'
_cell_volume   81.74
_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
  Sb  Sb2  1  0.86  0.42  0.71  1.0
  Pd  Pd0  1  0.11  0.42  0.07  1.0
  Pd  Pd1  1  0.76  0.0  0.36  1.0
  Se  Se3  1  0.11  0.0  0.82  1.0

data_SbPd2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.77
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbPd2Se
_chemical_formula_sum   'Sb1 Pd2 Se1'
_cell_volume   81.74
_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
  Sb  Sb0  1  0.14  0.29  0.58  1.0
  Pd  Pd1  1  0.24  0.64  0.0  1.0
  Pd  Pd2  1  0.89  0.93  0.58  1.0
  Se  Se3  1  0.89  0.18  0.0  1.0

Sb Pd Pd Se
Pd2SbSe crystallizes in the triclinic P1 space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 2-coordinate geometry to one Sb(1) and two equivalent Se(1) atoms. The Pd(1)-Sb(1) bond length is 1.72 Å. There is one shorter (2.32 Å) and one longer (3.05 Å) Pd(1)-Se(1) bond length. In the second Pd site, Pd(2) is bonded in a 1-coordinate geometry to three equivalent Se(1) atoms. There are a spread of Pd(2)-Se(1) bond distances ranging from 2.29-3.11 Å. Sb(1) is bonded in a 2-coordinate geometry to one Pd(1) and two equivalent Se(1) atoms. There is one shorter (2.21 Å) and one longer (2.97 Å) Sb(1)-Se(1) bond length. Se(1) is bonded in a 7-coordinate geometry to two equivalent Pd(1), three equivalent Pd(2), and two equivalent Sb(1) atoms.