data_Sn2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2HgP
_chemical_formula_sum   'Sn2 Hg1 P1'
_cell_volume   96.04
_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  0.82  0.82  0.82  1.0
  Sn  Sn3  1  0.63  0.63  0.63  1.0
  Hg  Hg0  1  0.45  0.45  0.45  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Sn2HgP
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sn2HgP
_chemical_formula_sum   'Sn6 Hg3 P3'
_cell_volume   288.11
_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  3  0.0  0.0  0.18  1.0
  Sn  Sn1  3  0.0  0.0  0.37  1.0
  Hg  Hg2  3  0.0  0.0  0.55  1.0
  P  P3  3  0.0  0.0  0.0  1.0

Sn Sn Hg P
HgSn2P crystallizes in the trigonal R3m space group. Hg(1) is bonded to one Sn(2) and three equivalent Sn(1) atoms to form distorted HgSn4 trigonal pyramids that share corners with three equivalent Sn(2)SnHgP3 trigonal bipyramids, corners with six equivalent Hg(1)Sn4 trigonal pyramids, and edges with three equivalent P(1)Sn4 trigonal pyramids. The Hg(1)-Sn(2) bond length is 2.30 Å. All Hg(1)-Sn(1) bond lengths are 2.99 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to three equivalent Hg(1), one Sn(2), and one P(1) atom. The Sn(1)-Sn(2) bond length is 2.30 Å. The Sn(1)-P(1) bond length is 2.30 Å. In the second Sn site, Sn(2) is bonded to one Hg(1), one Sn(1), and three equivalent P(1) atoms to form SnSnHgP3 trigonal bipyramids that share corners with six equivalent Sn(2)SnHgP3 trigonal bipyramids,  a cornercorner with one P(1)Sn4 trigonal pyramid, and corners with three equivalent Hg(1)Sn4 trigonal pyramids. All Sn(2)-P(1) bond lengths are 2.99 Å. P(1) is bonded to one Sn(1) and three equivalent Sn(2) atoms to form distorted PSn4 trigonal pyramids that share  a cornercorner with one Sn(2)SnHgP3 trigonal bipyramid, corners with six equivalent P(1)Sn4 trigonal pyramids, and edges with three equivalent Hg(1)Sn4 trigonal pyramids.