data_NbCdOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdOs
_chemical_formula_sum   'Nb1 Cd1 Os1'
_cell_volume   61.34
_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
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.13  0.13  0.13  1.0
  Os  Os2  1  0.57  0.57  0.57  1.0

data_NbCdOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   10.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NbCdOs
_chemical_formula_sum   'Nb3 Cd3 Os3'
_cell_volume   184.03
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Nb  Nb0  3  0.0  0.0  0.0  1.0
  Cd  Cd1  3  0.0  0.0  0.87  1.0
  Os  Os2  3  0.0  0.0  0.43  1.0

Nb Cd Os
Nb Cd Os 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 1 2 o o - 1 2 o - o 1 2 - o o 
NbOsCd crystallizes in the trigonal R3m space group. Nb(1) is bonded to three equivalent Os(1) and one Cd(1) atom to form distorted NbCdOs3 tetrahedra that share corners with three equivalent Cd(1)NbOs3 tetrahedra, corners with six equivalent Nb(1)CdOs3 tetrahedra, and edges with three equivalent Cd(1)NbOs3 tetrahedra. All Nb(1)-Os(1) bond lengths are 2.78 Å. The Nb(1)-Cd(1) bond length is 1.41 Å. Os(1) is bonded in a 6-coordinate geometry to three equivalent Nb(1) and three equivalent Cd(1) atoms. All Os(1)-Cd(1) bond lengths are 2.78 Å. Cd(1) is bonded to one Nb(1) and three equivalent Os(1) atoms to form distorted CdNbOs3 tetrahedra that share corners with three equivalent Nb(1)CdOs3 tetrahedra, corners with six equivalent Cd(1)NbOs3 tetrahedra, and edges with three equivalent Nb(1)CdOs3 tetrahedra.