data_LaNb2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Hg
_chemical_formula_sum   'La1 Nb2 Hg1'
_cell_volume   89.35
_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
  La  La1  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.2  0.31  1.0
  Nb  Nb3  1  0.2  0.0  0.31  1.0
  Hg  Hg0  1  0.2  0.2  0.0  1.0

data_LaNb2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNb2Hg
_chemical_formula_sum   'La2 Nb4 Hg2'
_cell_volume   178.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  La  La0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  4  0.1  0.1  0.31  1.0
  Hg  Hg2  2  0.2  0.0  0.0  1.0

La Nb Nb Hg
LaNb2Hg is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaNb2Hg clusters. La(1) is bonded in a distorted single-bond geometry to two equivalent Nb(1) and one Hg(1) atom. Both La(1)-Nb(1) bond lengths are 1.66 Å. The La(1)-Hg(1) bond length is 1.25 Å. Nb(1) is bonded in a 3-coordinate geometry to one La(1), one Nb(1), and one Hg(1) atom. The Nb(1)-Nb(1) bond length is 1.25 Å. The Nb(1)-Hg(1) bond length is 1.66 Å. Hg(1) is bonded in a distorted single-bond geometry to one La(1) and two equivalent Nb(1) atoms.