data_NbHgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbHgPd2
_chemical_formula_sum   'Nb1 Hg1 Pd2'
_cell_volume   69.97
_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  Nb1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.45  0.45  0.0  1.0
  Pd  Pd2  1  0.0  0.45  0.45  1.0
  Pd  Pd3  1  0.45  0.0  0.45  1.0

data_NbHgPd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   2.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbHgPd2
_chemical_formula_sum   'Nb2 Hg2 Pd4'
_cell_volume   139.94
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  2  0.45  0.0  0.0  1.0
  Pd  Pd2  4  0.23  0.23  0.45  1.0

Nb Hg Pd Pd
Nb Hg Pd Pd 0 3 - o - 0 3 - o o 0 3 o o - 0 3 o o o 0 2 o - - 0 2 o - o 0 2 o o - 0 2 o o o 0 0 o o + 0 1 o o o 1 2 o o - 1 2 o o o 1 2 + o - 1 2 + o o 1 3 o o - 1 3 o o o 1 3 o + - 1 3 o + o 1 1 o o + 2 3 o o o 2 2 o o + 3 3 o o + 
NbPd2Hg crystallizes in the monoclinic Cm space group. Nb(1) is bonded in a 8-coordinate geometry to eight equivalent Pd(1) atoms. There are a spread of Nb(1)-Pd(1) bond distances ranging from 2.59-3.11 Å. Pd(1) is bonded in a 10-coordinate geometry to four equivalent Nb(1), two equivalent Pd(1), and four equivalent Hg(1) atoms. Both Pd(1)-Pd(1) bond lengths are 2.90 Å. There are a spread of Pd(1)-Hg(1) bond distances ranging from 2.59-3.11 Å. Hg(1) is bonded in a 8-coordinate geometry to eight equivalent Pd(1) atoms.