data_CaOs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72
_cell_length_b   9.72
_cell_length_c   9.72
_cell_angle_alpha   16.67
_cell_angle_beta   16.67
_cell_angle_gamma   16.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaOs2Pd
_chemical_formula_sum   'Ca1 Os2 Pd1'
_cell_volume   66.01
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.72  1.0
  Os  Os2  1  0.0  0.0  0.04  1.0
  Pd  Pd3  1  0.0  0.0  0.38  1.0

data_CaOs2Pd
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.88
_cell_length_b   2.82
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   99.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaOs2Pd
_chemical_formula_sum   'Ca2 Os4 Pd2'
_cell_volume   132.03
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Os  Os1  2  -0.0  0.0  0.28  1.0
  Pd  Pd2  2  0.0  0.0  0.62  1.0
  Os  Os3  2  0.0  0.0  0.96  1.0

Ca Os Os Pd
CaOs2Pd crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a single-bond geometry to one Os(1) and one Os(2) atom. The Ca(1)-Os(1) bond length is 2.68 Å. The Ca(1)-Os(2) bond length is 0.36 Å. There are two inequivalent Os sites. In the first Os site, Os(1) is bonded in a single-bond geometry to one Ca(1) and one Pd(1) atom. The Os(1)-Pd(1) bond length is 3.34 Å. In the second Os site, Os(2) is bonded in a single-bond geometry to one Ca(1) and one Pd(1) atom. The Os(2)-Pd(1) bond length is 3.34 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded to one Os(1); one Os(2); and six Pd(1,1) atoms to form a mixture of corner and edge-sharing PdOs2Pd6 hexagonal bipyramids. All Pd(1)-Pd(1,1) bond lengths are 2.82 Å. In the second Pd site, Pd(1) is bonded to one Os(1); one Os(2); and six Pd(1,1) atoms to form a mixture of corner and edge-sharing PdOs2Pd6 hexagonal bipyramids. The Pd(1)-Os(1) bond length is 3.34 Å. The Pd(1)-Os(2) bond length is 3.34 Å. Both Pd(1)-Pd(1) bond lengths are 2.82 Å.