data_Nb3ReOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3ReOs
_chemical_formula_sum   'Nb3 Re1 Os1'
_cell_volume   108.41
_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  0.38  0.0  0.38  1.0
  Nb  Nb2  1  0.38  0.38  0.0  1.0
  Nb  Nb3  1  0.0  0.38  0.38  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0
  Os  Os4  1  0.38  0.38  0.38  1.0

data_Nb3ReOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Nb3ReOs
_chemical_formula_sum   'Nb9 Re3 Os3'
_cell_volume   325.22
_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  9  0.08  0.54  0.92  1.0
  Re  Re1  3  0.0  0.0  0.0  1.0
  Os  Os2  3  0.0  0.0  0.38  1.0

Nb Nb Nb Re Os
Nb Nb Nb Re Os 0 4 o o o 0 3 o o o 1 4 o o o 1 3 o o o 2 4 o o o 2 3 o o o 
Nb3ReOs is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. Nb(1) is bonded in a distorted single-bond geometry to three equivalent Re(1) and one Os(1) atom. There is one shorter (2.59 Å) and two longer (3.46 Å) Nb(1)-Re(1) bond lengths. The Nb(1)-Os(1) bond length is 1.83 Å. Re(1) is bonded in a 9-coordinate geometry to nine equivalent Nb(1) atoms. Os(1) is bonded in a distorted octahedral geometry to three equivalent Nb(1) atoms.