data_NaB3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaB3Pb
_chemical_formula_sum   'Na1 B3 Pb1'
_cell_volume   111.07
_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  Na1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.4  0.0  0.4  1.0
  B  B3  1  0.4  0.4  0.0  1.0
  B  B4  1  0.0  0.4  0.4  1.0
  Pb  Pb0  1  0.4  0.4  0.4  1.0

data_NaB3Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.8
_cell_length_b   6.8
_cell_length_c   8.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaB3Pb
_chemical_formula_sum   'Na3 B9 Pb3'
_cell_volume   333.21
_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
  B  B1  9  0.06  0.53  0.94  1.0
  Pb  Pb2  3  0.0  0.0  0.4  1.0

Na B B B Pb
Na B B B Pb 0 4 o o o 0 3 o o o 0 2 o o o 0 1 o o o 1 4 o o o 2 4 o o o 3 4 o o o 
NaB3Pb crystallizes in the trigonal R3m space group. Na(1) is bonded in a 3-coordinate geometry to three equivalent B(1) atoms. All Na(1)-B(1) bond lengths are 2.74 Å. B(1) is bonded in a distorted T-shaped geometry to one Na(1) and two equivalent Pb(1) atoms. There is one shorter (1.94 Å) and one longer (2.87 Å) B(1)-Pb(1) bond length. Pb(1) is bonded to six equivalent B(1) atoms to form distorted corner-sharing PbB6 octahedra. The corner-sharing octahedra are not tilted.