data_SrZrPb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrPb4
_chemical_formula_sum   'Sr1 Zr1 Pb4'
_cell_volume   189.95
_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
  Sr  Sr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.28  0.28  0.28  1.0
  Pb  Pb0  1  0.43  0.43  0.7  1.0
  Pb  Pb1  1  0.43  0.7  0.43  1.0
  Pb  Pb2  1  0.7  0.43  0.43  1.0
  Pb  Pb3  1  0.7  0.7  0.7  1.0

data_SrZrPb4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   15.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrZrPb4
_chemical_formula_sum   'Sr3 Zr3 Pb12'
_cell_volume   569.86
_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
  Sr  Sr0  3  0.0  0.0  0.0  1.0
  Zr  Zr1  3  0.0  0.0  0.72  1.0
  Pb  Pb2  9  0.09  0.18  0.48  1.0
  Pb  Pb3  3  0.0  0.0  0.3  1.0

Sr Zr Pb Pb Pb Pb
SrZrPb4 crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1), three equivalent Pb(1), and three equivalent Pb(2) atoms. All Sr(1)-Zr(1) bond lengths are 3.82 Å. All Sr(1)-Pb(1) bond lengths are 3.98 Å. All Sr(1)-Pb(2) bond lengths are 3.76 Å. Zr(1) is bonded in a 3-coordinate geometry to three equivalent Sr(1) and three equivalent Pb(1) atoms. All Zr(1)-Pb(1) bond lengths are 3.12 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(2) is bonded in a distorted trigonal planar geometry to three equivalent Sr(1) atoms. In the second Pb site, Pb(1) is bonded in a 3-coordinate geometry to one Sr(1), one Zr(1), and two equivalent Pb(1) atoms. Both Pb(1)-Pb(1) bond lengths are 1.75 Å.