data_HgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgP2
_chemical_formula_sum   'Hg2 P4'
_cell_volume   111.69
_cell_formula_units_Z   2
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
  Hg  Hg0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.91  0.91  0.91  1.0
  P  P2  1  0.87  0.87  0.78  1.0
  P  P3  1  0.78  0.87  0.87  1.0
  P  P4  1  0.87  0.78  0.87  1.0
  P  P5  1  0.78  0.78  0.78  1.0

data_HgP2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   13.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   HgP2
_chemical_formula_sum   'Hg6 P12'
_cell_volume   335.08
_cell_formula_units_Z   6
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
  Hg  Hg0  3  0.0  0.0  0.0  1.0
  Hg  Hg1  3  0.0  0.0  0.09  1.0
  P  P2  9  0.06  0.03  0.16  1.0
  P  P3  3  0.0  0.0  0.22  1.0

Hg Hg P P P P
Hg Hg P P P P 0 1 - - - 1 4 o o o 1 3 o o o 1 2 o o o 2 4 o o o 2 3 o o o 2 5 o o o 3 4 o o o 3 5 o o o 4 5 o o o 
HgP2 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three HgP2 clusters. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Hg(2) atom. The Hg(1)-Hg(2) bond length is 1.18 Å. In the second Hg site, Hg(2) is bonded in a distorted rectangular see-saw-like geometry to one Hg(1) and three equivalent P(1) atoms. All Hg(2)-P(1) bond lengths are 1.02 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one Hg(2), one P(2), and two equivalent P(1) atoms. The P(1)-P(2) bond length is 0.83 Å. Both P(1)-P(1) bond lengths are 0.48 Å. In the second P site, P(2) is bonded in a 3-coordinate geometry to three equivalent P(1) atoms.