data_POs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   2.76
_cell_angle_alpha   104.3
_cell_angle_beta   104.3
_cell_angle_gamma   121.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Pd
_chemical_formula_sum   'P1 Os2 Pd1'
_cell_volume   58.58
_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
  P  P2  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.62  0.67  0.19  1.0
  Os  Os1  1  0.62  0.33  0.19  1.0
  Pd  Pd3  1  0.63  0.0  0.0  1.0

data_POs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.56
_cell_length_c   5.36
_cell_angle_alpha   114.78
_cell_angle_beta   104.3
_cell_angle_gamma   91.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   POs2Pd
_chemical_formula_sum   'P1 Os2 Pd1'
_cell_volume   58.58
_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
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.63  1.0
  Os  Os2  1  0.52  0.33  0.96  1.0
  Os  Os3  1  0.86  0.67  0.29  1.0

P Os Os Pd
P Os Os Pd 0 1 - - - 0 1 - - o 0 3 - o o 1 3 o + o 1 2 o o o 2 3 o o o 
Os2PdP crystallizes in the triclinic P1 space group. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a 4-coordinate geometry to one Os(2), one Pd(1), and two equivalent P(1) atoms. The Os(1)-Os(2) bond length is 1.80 Å. The Os(1)-Pd(1) bond length is 1.96 Å. There is one shorter (2.07 Å) and one longer (2.19 Å) Os(1)-P(1) bond length. In the second Os site, Os(2) is bonded in a 2-coordinate geometry to one Os(1), one Pd(1), and one P(1) atom. The Os(2)-Pd(1) bond length is 1.76 Å. The Os(2)-P(1) bond length is 2.67 Å. Pd(1) is bonded in a 3-coordinate geometry to one Os(1), one Os(2), and one P(1) atom. The Pd(1)-P(1) bond length is 1.96 Å. P(1) is bonded in a 4-coordinate geometry to one Os(2), two equivalent Os(1), and one Pd(1) atom.