data_HfIn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Hg
_chemical_formula_sum   'Hf1 In2 Hg1'
_cell_volume   91.66
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  In  In2  1  0.58  0.74  0.6  1.0
  In  In3  1  0.58  0.26  0.6  1.0
  Hg  Hg1  1  0.16  0.0  0.0  1.0

data_HfIn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   109.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfIn2Hg
_chemical_formula_sum   'Hf1 In2 Hg1'
_cell_volume   91.66
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.6  0.58  0.26  1.0
  In  In2  1  0.6  0.58  0.74  1.0
  Hg  Hg3  1  0.0  0.16  0.0  1.0

Hf In In Hg
HfHgIn2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a single-bond geometry to one Hg(1), two equivalent In(1), and two equivalent In(2) atoms. The Hf(1)-Hg(1) bond length is 0.91 Å. There is one shorter (2.59 Å) and one longer (2.97 Å) Hf(1)-In(1) bond length. There is one shorter (3.34 Å) and one longer (3.65 Å) Hf(1)-In(2) bond length. Hg(1) is bonded in a single-bond geometry to one Hf(1), one In(1), and two equivalent In(2) atoms. The Hg(1)-In(1) bond length is 3.34 Å. There is one shorter (2.59 Å) and one longer (2.97 Å) Hg(1)-In(2) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 7-coordinate geometry to two equivalent Hf(1), one Hg(1), two equivalent In(1), and two equivalent In(2) atoms. Both In(1)-In(1) bond lengths are 3.21 Å. There is one shorter (2.67 Å) and one longer (2.85 Å) In(1)-In(2) bond length. In the second In site, In(2) is bonded in a 8-coordinate geometry to two equivalent Hf(1), two equivalent Hg(1), two equivalent In(1), and two equivalent In(2) atoms. Both In(2)-In(2) bond lengths are 3.21 Å.