data_ZnGa2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   5.02
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   94.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Hg
_chemical_formula_sum   'Zn1 Ga2 Hg1'
_cell_volume   81.15
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.43  0.51  0.58  1.0
  Ga  Ga1  1  0.62  0.51  0.12  1.0
  Hg  Hg2  1  0.52  0.0  0.35  1.0

data_ZnGa2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.72
_cell_length_c   5.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnGa2Hg
_chemical_formula_sum   'Zn1 Ga2 Hg1'
_cell_volume   81.15
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.38  0.88  0.49  1.0
  Ga  Ga2  1  0.57  0.42  0.49  1.0
  Hg  Hg3  1  0.48  0.65  0.0  1.0

Zn Ga Ga Hg
Zn Ga Ga Hg 0 2 - - o 0 2 - o o 0 3 - o o 0 3 o o o 1 3 o o o 1 3 o + o 1 2 o o o 1 2 o o + 2 3 o o o 2 3 o + o 
HgZnGa2 crystallizes in the triclinic P1 space group. Hg(1) is bonded in a 6-coordinate geometry to two equivalent Zn(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. There is one shorter (2.35 Å) and one longer (2.42 Å) Hg(1)-Zn(1) bond length. There is one shorter (2.73 Å) and one longer (2.82 Å) Hg(1)-Ga(1) bond length. There is one shorter (2.73 Å) and one longer (2.82 Å) Hg(1)-Ga(2) bond length. Zn(1) is bonded in a distorted L-shaped geometry to two equivalent Hg(1) and two equivalent Ga(2) atoms. There is one shorter (2.86 Å) and one longer (2.95 Å) Zn(1)-Ga(2) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent Hg(1) and two equivalent Ga(2) atoms to form distorted corner-sharing GaGa2Hg2 tetrahedra. There is one shorter (2.35 Å) and one longer (2.56 Å) Ga(1)-Ga(2) bond length. In the second Ga site, Ga(2) is bonded in a distorted hexagonal planar geometry to two equivalent Hg(1), two equivalent Zn(1), and two equivalent Ga(1) atoms.