data_SrPbCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   6.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPbCl4
_chemical_formula_sum   'Sr1 Pb1 Cl4'
_cell_volume   161.75
_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  Sr5  1  0.0  0.0  0.0  1.0
  Pb  Pb4  1  0.49  0.49  0.49  1.0
  Cl  Cl0  1  0.41  0.41  0.24  1.0
  Cl  Cl1  1  0.41  0.24  0.41  1.0
  Cl  Cl2  1  0.24  0.41  0.41  1.0
  Cl  Cl3  1  0.24  0.24  0.24  1.0

data_SrPbCl4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   14.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrPbCl4
_chemical_formula_sum   'Sr3 Pb3 Cl12'
_cell_volume   485.26
_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
  Pb  Pb1  3  0.0  0.0  0.51  1.0
  Cl  Cl2  9  0.12  0.06  0.65  1.0
  Cl  Cl3  3  0.0  0.0  0.76  1.0

Sr Pb Cl Cl Cl Cl
Sr Pb Cl Cl Cl Cl 0 5 o - o 0 5 - o o 0 5 o o - 0 5 o o o 0 3 - o o 0 3 o o - 0 2 - o o 0 2 o - o 0 4 o - o 0 4 o o - 1 4 o o o 1 3 o o o 1 2 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
SrPbCl4 crystallizes in the trigonal R3m space group. Sr(1) is bonded to one Cl(2) and six equivalent Cl(1) atoms to form distorted corner-sharing SrCl7 hexagonal pyramids. The Sr(1)-Cl(2) bond length is 3.56 Å. All Sr(1)-Cl(1) bond lengths are 3.28 Å. Pb(1) is bonded in a 3-coordinate geometry to three equivalent Cl(1) atoms. All Pb(1)-Cl(1) bond lengths are 2.09 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Sr(1) and three equivalent Cl(1) atoms. All Cl(2)-Cl(1) bond lengths are 1.85 Å. In the second Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Sr(1), one Pb(1), one Cl(2), and two equivalent Cl(1) atoms. Both Cl(1)-Cl(1) bond lengths are 1.07 Å.