data_Hg2PIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   3.84
_cell_angle_alpha   97.31
_cell_angle_beta   97.31
_cell_angle_gamma   23.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PIr
_chemical_formula_sum   'Hg2 P1 Ir1'
_cell_volume   80.37
_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
  Hg  Hg0  1  0.55  0.0  0.12  1.0
  Hg  Hg1  1  0.26  0.0  0.68  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.91  0.0  0.9  1.0

data_Hg2PIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   3.84
_cell_length_c   7.31
_cell_angle_alpha   97.31
_cell_angle_beta   101.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2PIr
_chemical_formula_sum   'Hg2 P1 Ir1'
_cell_volume   80.37
_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
  Hg  Hg0  1  0.0  0.12  0.55  1.0
  Hg  Hg1  1  0.0  0.68  0.26  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.9  0.91  1.0

Hg Hg P Ir
Hg Hg P Ir 0 1 o o - 0 1 o o o 0 0 + - o 0 3 o o - 1 2 o o o 1 2 o o + 1 1 + - o 1 3 - o o 2 3 - o - 
IrHg2P crystallizes in the triclinic P1 space group. Ir(1) is bonded in a single-bond geometry to one Hg(1) and one P(1) atom. The Ir(1)-Hg(1) bond length is 2.83 Å. The Ir(1)-P(1) bond length is 0.73 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 5-coordinate geometry to one Ir(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. Both Hg(1)-Hg(1) bond lengths are 2.95 Å. There is one shorter (2.54 Å) and one longer (3.19 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 1-coordinate geometry to two equivalent Hg(1) and one P(1) atom. The Hg(2)-P(1) bond length is 2.41 Å. P(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Hg(2) atom.