data_InGaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   131.55
_cell_angle_beta   131.55
_cell_angle_gamma   70.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGaHg2
_chemical_formula_sum   'In1 Ga1 Hg2'
_cell_volume   98.14
_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  In3  1  0.0  0.0  0.59  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.31  0.0  0.29  1.0
  Hg  Hg2  1  0.0  0.31  0.29  1.0

data_InGaHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   125.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InGaHg2
_chemical_formula_sum   'In2 Ga2 Hg4'
_cell_volume   196.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  In0  2  0.0  0.0  0.59  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  4  0.34  0.34  0.98  1.0

In Ga Hg Hg
In Ga Hg Hg 0 3 o o o 0 3 o o + 0 3 o - o 0 2 - o o 0 2 o o o 0 2 o o + 0 1 o o + 1 3 o o o 1 2 o o o 
Hg2InGa crystallizes in the monoclinic Cm space group. Hg(1) is bonded in a single-bond geometry to two equivalent In(1) and one Ga(1) atom. There is one shorter (3.04 Å) and one longer (3.12 Å) Hg(1)-In(1) bond length. The Hg(1)-Ga(1) bond length is 1.41 Å. In(1) is bonded in a 5-coordinate geometry to four equivalent Hg(1) and one Ga(1) atom. The In(1)-Ga(1) bond length is 2.32 Å. Ga(1) is bonded in a distorted L-shaped geometry to two equivalent Hg(1) and one In(1) atom.