data_AcCo2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AcCo2Hg
_chemical_formula_sum   'Ac1 Co2 Hg1'
_cell_volume   75.46
_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
  Ac  Ac0  1  0.35  0.35  0.35  1.0
  Co  Co1  1  0.03  0.03  0.03  1.0
  Co  Co2  1  0.68  0.68  0.68  1.0
  Hg  Hg3  1  0.0  0.0  0.0  1.0

data_AcCo2Hg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   11.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AcCo2Hg
_chemical_formula_sum   'Ac3 Co6 Hg3'
_cell_volume   226.38
_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
  Ac  Ac0  3  0.0  0.0  0.65  1.0
  Co  Co1  3  0.0  0.0  0.32  1.0
  Co  Co2  3  0.0  0.0  0.97  1.0
  Hg  Hg3  3  0.0  0.0  0.0  1.0

Ac Co Co Hg
Ac Co Co Hg 0 3 o o + 0 3 o + o 0 3 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o o o 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o + + 2 3 + o + 2 3 + + o 
AcCo2Hg crystallizes in the trigonal R3m space group. Ac(1) is bonded in a 11-coordinate geometry to four equivalent Co(1), four equivalent Co(2), and three equivalent Hg(1) atoms. There are three shorter (2.74 Å) and one longer (3.75 Å) Ac(1)-Co(1) bond length. There are three shorter (2.74 Å) and one longer (3.75 Å) Ac(1)-Co(2) bond length. All Ac(1)-Hg(1) bond lengths are 2.75 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to four equivalent Ac(1) and one Hg(1) atom. The Co(1)-Hg(1) bond length is 0.36 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to four equivalent Ac(1) atoms. Hg(1) is bonded in a single-bond geometry to three equivalent Ac(1) and one Co(1) atom.