data_NaSr4Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   7.48
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr4Pb
_chemical_formula_sum   'Na1 Sr4 Pb1'
_cell_volume   295.45
_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  Sr2  1  0.97  0.97  0.6  1.0
  Sr  Sr3  1  0.97  0.6  0.97  1.0
  Sr  Sr4  1  0.6  0.97  0.97  1.0
  Sr  Sr5  1  0.6  0.6  0.6  1.0
  Pb  Pb1  1  0.64  0.64  0.64  1.0

data_NaSr4Pb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   18.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaSr4Pb
_chemical_formula_sum   'Na3 Sr12 Pb3'
_cell_volume   886.35
_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  9  0.21  0.42  0.82  1.0
  Sr  Sr2  3  0.0  0.0  0.4  1.0
  Pb  Pb3  3  0.0  0.0  0.36  1.0

Na Sr Sr Sr Sr Pb
NaSr4Pb crystallizes in the trigonal R3m space group. Na(1) is bonded in a 6-coordinate geometry to six equivalent Sr(1) atoms. There are three shorter (3.21 Å) and three longer (4.29 Å) Na(1)-Sr(1) bond lengths. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), two equivalent Sr(1), and one Pb(1) atom. Both Sr(1)-Sr(1) bond lengths are 2.78 Å. The Sr(1)-Pb(1) bond length is 4.09 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Pb(1) atom. The Sr(2)-Pb(1) bond length is 0.79 Å. Pb(1) is bonded in a single-bond geometry to one Sr(2) and three equivalent Sr(1) atoms.