data_Na2CdHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   129.55
_cell_angle_beta   129.55
_cell_angle_gamma   74.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdHg
_chemical_formula_sum   'Na2 Cd1 Hg1'
_cell_volume   100.57
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Na  Na3  1  0.38  0.0  0.23  1.0
  Cd  Cd0  1  0.0  0.0  0.45  1.0
  Hg  Hg1  1  0.0  0.38  0.23  1.0

data_Na2CdHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   5.58
_cell_angle_alpha   115.23
_cell_angle_beta   115.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdHg
_chemical_formula_sum   'Na2 Cd1 Hg1'
_cell_volume   100.57
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.23  0.85  0.85  1.0
  Cd  Cd2  1  0.45  0.45  0.45  1.0
  Hg  Hg3  1  0.85  0.23  0.85  1.0

Na Na Cd Hg
Na2HgCd crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to one Na(2), one Hg(1), and two equivalent Cd(1) atoms. The Na(1)-Na(2) bond length is 1.62 Å. The Na(1)-Hg(1) bond length is 1.62 Å. There is one shorter (2.51 Å) and one longer (3.07 Å) Na(1)-Cd(1) bond length. In the second Na site, Na(2) is bonded in a 2-coordinate geometry to one Na(1) and three equivalent Cd(1) atoms. There are a spread of Na(2)-Cd(1) bond distances ranging from 2.85-3.39 Å. Hg(1) is bonded in a single-bond geometry to one Na(1) and three equivalent Cd(1) atoms. There are a spread of Hg(1)-Cd(1) bond distances ranging from 2.85-3.39 Å. Cd(1) is bonded in a 8-coordinate geometry to two equivalent Na(1), three equivalent Na(2), and three equivalent Hg(1) atoms.