data_NbHg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Rh
_chemical_formula_sum   'Nb1 Hg2 Rh1'
_cell_volume   74.33
_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
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.41  0.76  0.47  1.0
  Hg  Hg1  1  0.41  0.24  0.47  1.0
  Rh  Rh3  1  0.83  0.0  0.0  1.0

data_NbHg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   115.45
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHg2Rh
_chemical_formula_sum   'Nb1 Hg2 Rh1'
_cell_volume   74.33
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.47  0.41  0.24  1.0
  Hg  Hg2  1  0.47  0.41  0.76  1.0
  Rh  Rh3  1  0.0  0.83  0.0  1.0

Nb Hg Hg Rh
NbRhHg2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a single-bond geometry to one Rh(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. The Nb(1)-Rh(1) bond length is 0.92 Å. There is one shorter (3.26 Å) and one longer (3.34 Å) Nb(1)-Hg(1) bond length. There is one shorter (2.43 Å) and one longer (2.53 Å) Nb(1)-Hg(2) bond length. Rh(1) is bonded in a single-bond geometry to one Nb(1) and two equivalent Hg(1) atoms. There is one shorter (2.43 Å) and one longer (2.53 Å) Rh(1)-Hg(1) bond length. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 8-coordinate geometry to two equivalent Nb(1), two equivalent Rh(1), two equivalent Hg(1), and two equivalent Hg(2) atoms. Both Hg(1)-Hg(1) bond lengths are 2.94 Å. There is one shorter (2.51 Å) and one longer (2.78 Å) Hg(1)-Hg(2) bond length. In the second Hg site, Hg(2) is bonded in a 2-coordinate geometry to two equivalent Nb(1) and two equivalent Hg(1) atoms.