data_InHg2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InHg2P
_chemical_formula_sum   'In1 Hg2 P1'
_cell_volume   94.41
_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
  In  In2  1  0.81  0.81  0.81  1.0
  Hg  Hg0  1  0.42  0.42  0.42  1.0
  Hg  Hg1  1  0.61  0.61  0.61  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_InHg2P
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   12.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InHg2P
_chemical_formula_sum   'In3 Hg6 P3'
_cell_volume   283.22
_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
  In  In0  3  0.0  0.0  0.19  1.0
  Hg  Hg1  3  0.0  0.0  0.39  1.0
  Hg  Hg2  3  0.0  0.0  0.58  1.0
  P  P3  3  0.0  0.0  1.0  1.0

In Hg Hg P
Hg2InP crystallizes in the trigonal R3m space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to one Hg(2) and three equivalent In(1) atoms. The Hg(1)-Hg(2) bond length is 2.42 Å. All Hg(1)-In(1) bond lengths are 3.02 Å. In the second Hg site, Hg(2) is bonded in a 1-coordinate geometry to one Hg(1) and one In(1) atom. The Hg(2)-In(1) bond length is 2.42 Å. In(1) is bonded in a distorted linear geometry to one Hg(2), three equivalent Hg(1), and one P(1) atom. The In(1)-P(1) bond length is 2.42 Å. P(1) is bonded in a distorted single-bond geometry to one In(1) atom.