data_Zn2CoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CoHg
_chemical_formula_sum   'Zn2 Co1 Hg1'
_cell_volume   61.98
_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
  Zn  Zn2  1  0.0  0.0  0.22  1.0
  Zn  Zn3  1  0.58  0.58  0.72  1.0
  Co  Co0  1  0.0  0.0  0.81  1.0
  Hg  Hg1  1  0.58  0.58  0.55  1.0

data_Zn2CoHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2CoHg
_chemical_formula_sum   'Zn4 Co2 Hg2'
_cell_volume   123.96
_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
  Zn  Zn0  2  0.0  0.0  0.22  1.0
  Zn  Zn1  2  0.08  0.5  0.72  1.0
  Co  Co2  2  0.0  0.0  0.81  1.0
  Hg  Hg3  2  0.08  0.5  0.55  1.0

Zn Zn Co Hg
Zn Zn Co Hg 0 3 - - o 0 3 - o o 0 3 o - o 0 3 o o o 0 0 + o o 0 0 o + o 0 2 o o - 1 3 o o o 1 2 + + o 1 2 + o o 1 2 o + o 2 3 - - o 
CoHgZn2 crystallizes in the monoclinic Cm space group. Co(1) is bonded in a 5-coordinate geometry to one Zn(1) and four equivalent Zn(2) atoms. The Co(1)-Zn(1) bond length is 2.56 Å. There are a spread of Co(1)-Zn(2) bond distances ranging from 1.96-2.66 Å. Hg(1) is bonded in a single-bond geometry to one Zn(2) and three equivalent Zn(1) atoms. The Hg(1)-Zn(2) bond length is 1.01 Å. There is one shorter (2.78 Å) and two longer (3.06 Å) Hg(1)-Zn(1) bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one Co(1) and three equivalent Hg(1) atoms. In the second Zn site, Zn(2) is bonded in a distorted single-bond geometry to four equivalent Co(1) and one Hg(1) atom.