data_HgP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgP3
_chemical_formula_sum   'Hg2 P6'
_cell_volume   143.98
_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  0.62  0.62  0.62  1.0
  Hg  Hg1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.31  0.0  0.62  1.0
  P  P3  1  0.93  0.0  0.62  1.0
  P  P4  1  0.62  0.31  0.0  1.0
  P  P5  1  0.62  0.93  0.0  1.0
  P  P6  1  0.0  0.62  0.93  1.0
  P  P7  1  0.0  0.62  0.31  1.0

data_HgP3
_symmetry_space_group_name_H-M   R3
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   9.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   HgP3
_chemical_formula_sum   'Hg6 P18'
_cell_volume   431.94
_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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  0.62  1.0
  P  P2  9  0.02  0.67  0.98  1.0
  P  P3  9  0.08  0.23  0.85  1.0

Hg Hg P P P P P P
Hg Hg P P P P P P 0 2 o + o 0 4 o o + 0 7 + o o 0 3 o + o 0 5 o o + 0 6 + o o 1 5 - - o 1 3 - o - 1 6 o - - 2 3 - o o 4 5 o - o 6 7 o o + 
HgP3 crystallizes in the trigonal R3 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted hexagonal planar geometry to three equivalent P(1) and three equivalent P(2) atoms. All Hg(1)-P(1) bond lengths are 2.57 Å. All Hg(1)-P(2) bond lengths are 2.57 Å. In the second Hg site, Hg(2) is bonded in a 3-coordinate geometry to three equivalent P(1) and three equivalent P(2) atoms. All Hg(2)-P(1) bond lengths are 2.57 Å. All Hg(2)-P(2) bond lengths are 2.02 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to one Hg(1), one Hg(2), and two equivalent P(2) atoms. There is one shorter (1.99 Å) and one longer (2.59 Å) P(1)-P(2) bond length. In the second P site, P(2) is bonded in a 1-coordinate geometry to one Hg(1), one Hg(2), and two equivalent P(1) atoms.