data_Zr2InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InHg
_chemical_formula_sum   'Zr2 In1 Hg1'
_cell_volume   87.53
_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
  Zr  Zr2  1  0.58  0.18  0.59  1.0
  Zr  Zr3  1  0.58  0.82  0.59  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.15  0.0  0.0  1.0

data_Zr2InHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   108.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InHg
_chemical_formula_sum   'Zr2 In1 Hg1'
_cell_volume   87.53
_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
  Zr  Zr0  1  0.59  0.58  0.18  1.0
  Zr  Zr1  1  0.59  0.58  0.82  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.15  0.0  1.0

Zr Zr In Hg
Zr Zr In Hg 0 1 o - o 2 3 o o o 
Zr2HgIn crystallizes in the triclinic P1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 3-coordinate geometry to two equivalent Zr(2) and two equivalent Hg(1) atoms. There is one shorter (1.97 Å) and one longer (3.41 Å) Zr(1)-Zr(2) bond length. There is one shorter (2.54 Å) and one longer (2.88 Å) Zr(1)-Hg(1) bond length. In the second Zr site, Zr(2) is bonded in a 8-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Hg(1), and two equivalent In(1) atoms. Both Zr(2)-Zr(2) bond lengths are 3.18 Å. There is one shorter (3.05 Å) and one longer (3.33 Å) Zr(2)-Hg(1) bond length. There is one shorter (2.54 Å) and one longer (2.88 Å) Zr(2)-In(1) bond length. Hg(1) is bonded in a distorted single-bond geometry to two equivalent Zr(1), two equivalent Zr(2), and one In(1) atom. The Hg(1)-In(1) bond length is 0.82 Å. In(1) is bonded in a distorted single-bond geometry to two equivalent Zr(2) and one Hg(1) atom.