data_Pd2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   146.77
_cell_angle_beta   130.53
_cell_angle_gamma   60.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2RhSe
_chemical_formula_sum   'Pd2 Rh1 Se1'
_cell_volume   62.07
_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
  Pd  Pd0  1  0.0  0.23  0.52  1.0
  Pd  Pd1  1  0.52  0.0  0.07  1.0
  Rh  Rh2  1  0.0  0.0  0.58  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Pd2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.45
_cell_length_c   5.32
_cell_angle_alpha   114.74
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pd2RhSe
_chemical_formula_sum   'Pd2 Rh1 Se1'
_cell_volume   62.07
_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
  Pd  Pd0  1  0.45  0.93  0.45  1.0
  Pd  Pd1  1  0.48  0.71  0.71  1.0
  Rh  Rh2  1  0.42  0.42  0.42  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Pd Pd Rh Se
Pd Pd Rh Se 0 2 o o o 0 1 - o o 0 3 o o o 1 2 o o - 1 2 + o o 2 3 o o + 
RhPd2Se crystallizes in the triclinic P1 space group. Rh(1) is bonded in a 4-coordinate geometry to one Pd(1), two equivalent Pd(2), and one Se(1) atom. The Rh(1)-Pd(1) bond length is 1.51 Å. There is one shorter (2.23 Å) and one longer (2.24 Å) Rh(1)-Pd(2) bond length. The Rh(1)-Se(1) bond length is 2.21 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to one Rh(1), one Pd(2), and two equivalent Se(1) atoms. The Pd(1)-Pd(2) bond length is 1.97 Å. There is one shorter (1.87 Å) and one longer (2.42 Å) Pd(1)-Se(1) bond length. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to two equivalent Rh(1), one Pd(1), and one Se(1) atom. The Pd(2)-Se(1) bond length is 2.55 Å. Se(1) is bonded in a 4-coordinate geometry to one Rh(1), one Pd(2), and two equivalent Pd(1) atoms.