data_Ag2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2HgP
_chemical_formula_sum   'Ag2 Hg1 P1'
_cell_volume   75.59
_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
  Ag  Ag0  1  0.5  0.5  0.86  1.0
  Ag  Ag1  1  0.5  0.5  0.5  1.0
  Hg  Hg2  1  0.0  0.0  0.18  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Ag2HgP
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   8.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Ag2HgP
_chemical_formula_sum   'Ag2 Hg1 P1'
_cell_volume   75.59
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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
  Ag  Ag0  1  0.5  0.5  0.5  1.0
  Ag  Ag1  1  0.5  0.5  0.86  1.0
  Hg  Hg2  1  0.0  0.0  0.18  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ag Ag Hg P
Ag Ag Hg P 0 3 o o + 0 3 o + + 0 3 + o + 0 3 + + + 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 3 o o o 
Ag2HgP crystallizes in the monoclinic Cm space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to one Ag(2) and four equivalent P(1) atoms. The Ag(1)-Ag(2) bond length is 3.00 Å. There are a spread of Ag(1)-P(1) bond distances ranging from 2.43-2.46 Å. In the second Ag site, Ag(2) is bonded in a 9-coordinate geometry to one Ag(1), four equivalent Ag(2), and four equivalent Hg(1) atoms. All Ag(2)-Ag(2) bond lengths are 3.01 Å. There are a spread of Ag(2)-Hg(1) bond distances ranging from 3.41-3.43 Å. Hg(1) is bonded in a single-bond geometry to four equivalent Ag(2) and one P(1) atom. The Hg(1)-P(1) bond length is 1.47 Å. P(1) is bonded in a distorted single-bond geometry to four equivalent Ag(1) and one Hg(1) atom.