data_Ta2CrHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   4.33
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrHg
_chemical_formula_sum   'Ta2 Cr1 Hg1'
_cell_volume   68.26
_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  Ta2  1  0.8  0.17  0.0  1.0
  Ta  Ta3  1  0.0  0.17  0.18  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.8  0.0  0.18  1.0

data_Ta2CrHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.33
_cell_length_c   4.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CrHg
_chemical_formula_sum   'Ta2 Cr1 Hg1'
_cell_volume   68.26
_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  Ta0  1  0.0  0.17  0.18  1.0
  Ta  Ta1  1  0.8  0.17  -0.0  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.8  0.0  0.18  1.0

Ta Ta Cr Hg
Ta2CrHg is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ta2CrHg cluster. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to one Cr(1) and one Hg(1) atom. The Ta(1)-Cr(1) bond length is 1.01 Å. The Ta(1)-Hg(1) bond length is 1.08 Å. In the second Ta site, Ta(2) is bonded in a 2-coordinate geometry to one Cr(1) and one Hg(1) atom. The Ta(2)-Cr(1) bond length is 1.08 Å. The Ta(2)-Hg(1) bond length is 1.01 Å. Cr(1) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Hg(1) atom. The Cr(1)-Hg(1) bond length is 1.07 Å. Hg(1) is bonded in a 3-coordinate geometry to one Ta(1), one Ta(2), and one Cr(1) atom.