data_MnCoHg4
_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   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoHg4
_chemical_formula_sum   'Mn1 Co1 Hg4'
_cell_volume   122.86
_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
  Mn  Mn5  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.97  0.97  0.97  1.0
  Hg  Hg1  1  0.96  0.96  0.93  1.0
  Hg  Hg2  1  0.96  0.93  0.96  1.0
  Hg  Hg3  1  0.93  0.96  0.96  1.0
  Hg  Hg4  1  0.93  0.93  0.93  1.0

data_MnCoHg4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   13.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnCoHg4
_chemical_formula_sum   'Mn3 Co3 Hg12'
_cell_volume   368.57
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  Co  Co1  3  0.0  0.0  0.03  1.0
  Hg  Hg2  9  0.02  0.01  0.05  1.0
  Hg  Hg3  3  0.0  0.0  0.07  1.0

Mn Co Hg Hg Hg Hg
MnCoHg4 is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three MnCoHg4 clusters. Mn(1) is bonded in a single-bond geometry to one Co(1) atom. The Mn(1)-Co(1) bond length is 0.37 Å. Co(1) is bonded in a distorted single-bond geometry to one Mn(1) and three equivalent Hg(1) atoms. All Co(1)-Hg(1) bond lengths are 0.32 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(2) is bonded in a 3-coordinate geometry to three equivalent Hg(1) atoms. All Hg(2)-Hg(1) bond lengths are 0.31 Å. In the second Hg site, Hg(1) is bonded in a 3-coordinate geometry to one Co(1), one Hg(2), and two equivalent Hg(1) atoms. Both Hg(1)-Hg(1) bond lengths are 0.18 Å.