data_NaSrNbPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrNbPb
_chemical_formula_sum   'Na1 Sr1 Nb1 Pb1'
_cell_volume   111.76
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.91  0.91  0.91  1.0
  Nb  Nb1  1  0.73  0.73  0.73  1.0
  Pb  Pb2  1  0.82  0.82  0.82  1.0

data_NaSrNbPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   13.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaSrNbPb
_chemical_formula_sum   'Na3 Sr3 Nb3 Pb3'
_cell_volume   335.29
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Sr  Sr1  3  0.0  0.0  0.09  1.0
  Nb  Nb2  3  0.0  0.0  0.27  1.0
  Pb  Pb3  3  0.0  0.0  0.18  1.0

Na Sr Nb Pb
Na Sr Nb Pb 0 1 - - - 1 3 o o o 2 3 o o o 
NaSrNbPb crystallizes in the trigonal R3m space group. Na(1) is bonded to one Sr(1) and three equivalent Nb(1) atoms to form distorted corner-sharing NaSrNb3 tetrahedra. The Na(1)-Sr(1) bond length is 1.17 Å. All Na(1)-Nb(1) bond lengths are 3.25 Å. Sr(1) is bonded in a distorted linear geometry to one Na(1) and one Pb(1) atom. The Sr(1)-Pb(1) bond length is 1.17 Å. Nb(1) is bonded in a single-bond geometry to three equivalent Na(1) and one Pb(1) atom. The Nb(1)-Pb(1) bond length is 1.17 Å. Pb(1) is bonded in a linear geometry to one Sr(1) and one Nb(1) atom.