data_ZrIn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Hg
_chemical_formula_sum   'Zr1 In2 Hg1'
_cell_volume   97.53
_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  Zr3  1  0.0  0.0  0.11  1.0
  In  In1  1  0.0  0.0  0.01  1.0
  In  In2  1  0.74  0.0  0.59  1.0
  Hg  Hg0  1  0.74  0.0  0.68  1.0

data_ZrIn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   10.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Hg
_chemical_formula_sum   'Zr1 In2 Hg1'
_cell_volume   97.53
_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  0.0  0.0  0.11  1.0
  In  In1  1  0.0  0.0  0.01  1.0
  In  In2  1  0.74  0.0  0.59  1.0
  Hg  Hg3  1  0.74  0.0  0.68  1.0

Zr In In Hg
Zr In In Hg 0 1 o o o 2 3 o o o 
ZrInIn(Hg) is beta oxygen-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one In(Hg) cluster and one ZrIn cluster. In the In(Hg) cluster, Hg(1) is bonded in a single-bond geometry to one In(2) atom. The Hg(1)-In(2) bond length is 0.97 Å. In(2) is bonded in a single-bond geometry to one Hg(1) atom. In the ZrIn cluster, Zr(1) is bonded in a single-bond geometry to one In(1) atom. The Zr(1)-In(1) bond length is 0.95 Å. In(1) is bonded in a single-bond geometry to one Zr(1) atom.