data_Sn4HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn4HgPt
_chemical_formula_sum   'Sn4 Hg1 Pt1'
_cell_volume   159.54
_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
  Sn  Sn2  1  0.38  0.38  0.23  1.0
  Sn  Sn3  1  0.38  0.23  0.38  1.0
  Sn  Sn4  1  0.23  0.38  0.38  1.0
  Sn  Sn5  1  0.23  0.23  0.23  1.0
  Hg  Hg0  1  0.46  0.46  0.46  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0

data_Sn4HgPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   14.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sn4HgPt
_chemical_formula_sum   'Sn12 Hg3 Pt3'
_cell_volume   478.63
_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
  Sn  Sn0  9  0.11  0.05  0.67  1.0
  Sn  Sn1  3  0.0  0.0  0.77  1.0
  Hg  Hg2  3  0.0  0.0  0.54  1.0
  Pt  Pt3  3  0.0  0.0  0.0  1.0

Sn Sn Sn Sn Hg Pt
Sn Sn Sn Sn Hg Pt 0 1 o o o 0 2 o o o 0 3 o o o 0 4 o o o 0 5 + o o 0 5 o + o 1 2 o o o 1 3 o o o 1 4 o o o 1 5 + o o 1 5 o o + 2 3 o o o 2 4 o o o 2 5 o + o 2 5 o o + 3 5 o + o 3 5 + o o 3 5 o o + 3 5 o o o 4 5 + o o 4 5 o + o 4 5 o o + 
PtHgSn4 crystallizes in the trigonal R3m space group. Pt(1) is bonded to one Sn(2) and six equivalent Sn(1) atoms to form distorted corner-sharing PtSn7 hexagonal pyramids. The Pt(1)-Sn(2) bond length is 3.36 Å. All Pt(1)-Sn(1) bond lengths are 3.27 Å. Hg(1) is bonded in a 3-coordinate geometry to three equivalent Sn(1) atoms. All Hg(1)-Sn(1) bond lengths are 1.96 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to two equivalent Pt(1), one Hg(1), one Sn(2), and two equivalent Sn(1) atoms. The Sn(1)-Sn(2) bond length is 1.67 Å. Both Sn(1)-Sn(1) bond lengths are 0.96 Å. In the second Sn site, Sn(2) is bonded in a distorted rectangular see-saw-like geometry to one Pt(1) and three equivalent Sn(1) atoms.