data_MgCu2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   32.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2Hg
_chemical_formula_sum   'Mg1 Cu2 Hg1'
_cell_volume   65.99
_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
  Mg  Mg3  1  0.0  0.0  0.21  1.0
  Cu  Cu0  1  0.11  0.0  0.39  1.0
  Cu  Cu1  1  0.0  0.0  0.71  1.0
  Hg  Hg2  1  0.11  0.0  0.66  1.0

data_MgCu2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.22
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   106.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2Hg
_chemical_formula_sum   'Mg1 Cu2 Hg1'
_cell_volume   65.99
_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
  Mg  Mg0  1  0.79  0.0  0.79  1.0
  Cu  Cu1  1  0.29  0.0  0.29  1.0
  Cu  Cu2  1  0.61  0.11  0.61  1.0
  Hg  Hg3  1  0.34  0.11  0.34  1.0

Mg Cu Cu Hg
Mg Cu Cu Hg 0 1 o o o 2 3 o o o 
MgCu2Hg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgCu2Hg cluster. Mg(1) is bonded in a single-bond geometry to one Cu(1) atom. The Mg(1)-Cu(1) bond length is 1.06 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Hg(1) atom. The Cu(1)-Hg(1) bond length is 1.45 Å. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Hg(1) atom. The Cu(2)-Hg(1) bond length is 0.54 Å. Hg(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Cu(2) atom.