data_Cu2HgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   5.62
_cell_angle_alpha   100.01
_cell_angle_beta   100.01
_cell_angle_gamma   40.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgAs
_chemical_formula_sum   'Cu2 Hg1 As1'
_cell_volume   69.99
_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
  Cu  Cu1  1  0.97  0.0  0.51  1.0
  Cu  Cu2  1  0.92  0.0  0.08  1.0
  Hg  Hg3  1  0.61  0.0  0.56  1.0
  As  As0  1  0.3  0.0  0.65  1.0

data_Cu2HgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.41
_cell_length_c   5.62
_cell_angle_alpha   100.01
_cell_angle_beta   90.0
_cell_angle_gamma   110.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2HgAs
_chemical_formula_sum   'Cu2 Hg1 As1'
_cell_volume   69.99
_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
  Cu  Cu0  1  0.0  0.03  0.49  1.0
  Cu  Cu1  1  0.0  0.08  0.92  1.0
  Hg  Hg2  1  0.0  0.39  0.44  1.0
  As  As3  1  0.0  0.7  0.35  1.0

Cu Cu Hg As
Cu2HgAs crystallizes in the triclinic P1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 2-coordinate geometry to one Cu(2), one Hg(1), and one As(1) atom. The Cu(1)-Cu(2) bond length is 2.36 Å. The Cu(1)-Hg(1) bond length is 1.67 Å. The Cu(1)-As(1) bond length is 1.49 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent Cu(2), one Hg(1), and one As(1) atom. Both Cu(2)-Cu(2) bond lengths are 3.07 Å. The Cu(2)-Hg(1) bond length is 3.02 Å. The Cu(2)-As(1) bond length is 3.19 Å. Hg(1) is bonded in a linear geometry to one Cu(1), one Cu(2), and one As(1) atom. The Hg(1)-As(1) bond length is 1.55 Å. As(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1), one Cu(2), and one Hg(1) atom.