data_BaZnHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZnHg2
_chemical_formula_sum   'Ba1 Zn1 Hg2'
_cell_volume   123.65
_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
  Ba  Ba0  1  0.52  0.52  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.52  0.0  0.44  1.0
  Hg  Hg2  1  0.0  0.52  0.44  1.0

data_BaZnHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.12
_cell_length_b   7.12
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZnHg2
_chemical_formula_sum   'Ba2 Zn2 Hg4'
_cell_volume   247.29
_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
  Ba  Ba0  2  0.02  0.5  0.0  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Hg  Hg2  4  0.26  0.26  0.44  1.0

Ba Zn Hg Hg
Ba Zn Hg Hg 0 1 o o o 0 1 o + o 0 1 + o o 0 1 + + o 0 3 o o - 0 3 o o o 0 3 + o - 0 3 + o o 0 2 o o - 0 2 o o o 0 2 o + - 0 2 o + o 1 2 - o - 1 2 - o o 1 2 o o - 1 2 o o o 1 3 o - - 1 3 o - o 1 3 o o - 1 3 o o o 2 3 o - o 2 3 o o o 2 3 + - o 2 3 + o o 
BaHg2Zn crystallizes in the monoclinic Cm space group. Ba(1) is bonded to eight equivalent Hg(1) and four equivalent Zn(1) atoms to form a mixture of face and corner-sharing BaZn4Hg8 cuboctahedra. There are a spread of Ba(1)-Hg(1) bond distances ranging from 3.25-3.77 Å. There are a spread of Ba(1)-Zn(1) bond distances ranging from 3.44-3.67 Å. Hg(1) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Zn(1) atom. The Hg(1)-Zn(1) bond length is 3.25 Å. Zn(1) is bonded in a 6-coordinate geometry to four equivalent Ba(1) and two equivalent Hg(1) atoms.