data_NiOsPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiOsPb3
_chemical_formula_sum   'Ni1 Os1 Pb3'
_cell_volume   126.74
_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
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Os  Os4  1  0.51  0.51  0.51  1.0
  Pb  Pb0  1  0.0  0.51  0.0  1.0
  Pb  Pb1  1  0.0  0.0  0.51  1.0
  Pb  Pb2  1  0.51  0.0  0.0  1.0

data_NiOsPb3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   8.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NiOsPb3
_chemical_formula_sum   'Ni3 Os3 Pb9'
_cell_volume   380.23
_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
  Ni  Ni0  3  0.0  0.0  0.0  1.0
  Os  Os1  3  0.0  0.0  0.51  1.0
  Pb  Pb2  9  0.01  0.5  0.5  1.0

Ni Os Pb Pb Pb
OsNiPb3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Os(1) is bonded to twelve equivalent Pb(1) atoms to form distorted OsPb12 cuboctahedra that share corners with twelve equivalent Os(1)Pb12 cuboctahedra, faces with six equivalent Os(1)Pb12 cuboctahedra, and faces with eight equivalent Ni(1)Pb6 octahedra. There are a spread of Os(1)-Pb(1) bond distances ranging from 3.47-3.63 Å. Ni(1) is bonded to six equivalent Pb(1) atoms to form NiPb6 octahedra that share corners with six equivalent Ni(1)Pb6 octahedra and faces with eight equivalent Os(1)Pb12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.45 Å) and three longer (2.57 Å) Ni(1)-Pb(1) bond lengths. Pb(1) is bonded in a linear geometry to four equivalent Os(1) and two equivalent Ni(1) atoms.