data_TaCo2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03
_cell_length_b   8.03
_cell_length_c   8.03
_cell_angle_alpha   21.99
_cell_angle_beta   21.99
_cell_angle_gamma   21.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Hg
_chemical_formula_sum   'Ta1 Co2 Hg1'
_cell_volume   63.76
_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
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.08  1.0
  Co  Co1  1  0.0  0.0  0.44  1.0
  Hg  Hg2  1  0.0  0.0  0.76  1.0

data_TaCo2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   3.06
_cell_length_c   8.03
_cell_angle_alpha   90.0
_cell_angle_beta   102.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCo2Hg
_chemical_formula_sum   'Ta2 Co4 Hg2'
_cell_volume   127.53
_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
  Ta  Ta0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.56  1.0
  Co  Co2  2  0.0  0.0  0.92  1.0
  Hg  Hg3  2  0.0  0.0  0.24  1.0

Ta Co Co Hg
TaCo2Hg crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a distorted single-bond geometry to one Co(1) and one Hg(1) atom. The Ta(1)-Co(1) bond length is 0.62 Å. The Ta(1)-Hg(1) bond length is 1.96 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Ta(1) and one Co(2) atom. The Co(1)-Co(2) bond length is 2.88 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Co(1), six equivalent Co(2), and one Hg(1) atom. All Co(2)-Co(2) bond lengths are 3.06 Å. The Co(2)-Hg(1) bond length is 2.58 Å. Hg(1) is bonded in a distorted single-bond geometry to one Ta(1) and one Co(2) atom.