The material described by CuHg3As2Cl3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(5) atom. In the second Cu site, Cu(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cl(2) and two equivalent Cl(4) atoms. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one As(1) and one As(2) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent As(3) atoms. In the third Hg site, Hg(3) is bonded to two equivalent As(3) and two equivalent Cl(2) atoms to form distorted HgAs2Cl2 trigonal pyramids that share corners with two equivalent As(1)Hg3As tetrahedra. In the fourth Hg site, Hg(4) is bonded in a 3-coordinate geometry to one As(2), one As(3), and one Cl(3) atom. In the fifth Hg site, Hg(5) is bonded in a 4-coordinate geometry to one As(1), one As(2), one Cl(1), and one Cl(5) atom. In the sixth Hg site, Hg(6) is bonded in a linear geometry to two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded to one Hg(1), one Hg(5), one Hg(6), and one As(3) atom to form AsHg3As tetrahedra that share  a cornercorner with one As(1)Hg3As tetrahedra, corners with two equivalent As(2)Hg3As tetrahedra, and  a cornercorner with one Hg(3)As2Cl2 trigonal pyramid. In the second As site, As(2) is bonded to one Hg(1), one Hg(4), one Hg(5), and one As(2) atom to form corner-sharing AsHg3As tetrahedra. In the third As site, As(3) is bonded to one Hg(2), one Hg(3), one Hg(4), and one As(1) atom to form corner-sharing AsHg3As tetrahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Hg(5) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), and one Hg(3) atom. In the third Cl site, Cl(3) is bonded in a distorted linear geometry to two equivalent Cu(1) and two equivalent Hg(4) atoms. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Cu(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Cu(1) and one Hg(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuHg3As2Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.478
_cell_length_b   13.478
_cell_length_c   15.171
_cell_angle_alpha   58.139
_cell_angle_beta   58.139
_cell_angle_gamma   40.142
_symmetry_Int_Tables_number   1
_cell_volume   1469.662
_cell_formula_units_Z   6
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  0.390  0.950  0.727  1.0
  Cu  Cu1  1  0.610  0.050  0.273  1.0
  Cu  Cu2  1  0.050  0.610  0.773  1.0
  Cu  Cu3  1  0.950  0.390  0.227  1.0
  Cu  Cu4  1  0.670  0.330  0.750  1.0
  Cu  Cu5  1  0.330  0.670  0.250  1.0
  Hg  Hg6  1  0.667  0.662  0.003  1.0
  Hg  Hg7  1  0.333  0.338  0.997  1.0
  Hg  Hg8  1  0.338  0.333  0.497  1.0
  Hg  Hg9  1  0.662  0.667  0.503  1.0
  Hg  Hg10  1  0.000  0.000  0.500  1.0
  Hg  Hg11  1  0.000  0.000  0.000  1.0
  Hg  Hg12  1  0.203  0.797  0.750  1.0
  Hg  Hg13  1  0.797  0.203  0.250  1.0
  Hg  Hg14  1  0.827  0.834  0.503  1.0
  Hg  Hg15  1  0.173  0.166  0.497  1.0
  Hg  Hg16  1  0.166  0.173  0.997  1.0
  Hg  Hg17  1  0.834  0.827  0.003  1.0
  Hg  Hg18  1  0.541  0.122  0.749  1.0
  Hg  Hg19  1  0.459  0.878  0.251  1.0
  Hg  Hg20  1  0.878  0.459  0.751  1.0
  Hg  Hg21  1  0.122  0.541  0.249  1.0
  Hg  Hg22  1  0.500  0.500  0.500  1.0
  Hg  Hg23  1  0.500  0.500  0.000  1.0
  As  As24  1  0.543  0.256  0.552  1.0
  As  As25  1  0.457  0.744  0.448  1.0
  As  As26  1  0.744  0.457  0.948  1.0
  As  As27  1  0.256  0.543  0.052  1.0
  As  As28  1  0.410  0.129  0.946  1.0
  As  As29  1  0.590  0.871  0.054  1.0
  As  As30  1  0.871  0.590  0.554  1.0
  As  As31  1  0.129  0.410  0.446  1.0
  As  As32  1  0.200  0.933  0.553  1.0
  As  As33  1  0.800  0.067  0.447  1.0
  As  As34  1  0.067  0.800  0.947  1.0
  As  As35  1  0.933  0.200  0.053  1.0
  Cl  Cl36  1  0.593  0.863  0.755  1.0
  Cl  Cl37  1  0.407  0.137  0.245  1.0
  Cl  Cl38  1  0.137  0.407  0.745  1.0
  Cl  Cl39  1  0.863  0.593  0.255  1.0
  Cl  Cl40  1  0.498  0.656  0.750  1.0
  Cl  Cl41  1  0.502  0.344  0.250  1.0
  Cl  Cl42  1  0.344  0.502  0.750  1.0
  Cl  Cl43  1  0.656  0.498  0.250  1.0
  Cl  Cl44  1  0.500  0.000  0.500  1.0
  Cl  Cl45  1  0.000  0.500  0.000  1.0
  Cl  Cl46  1  0.677  0.215  0.915  1.0
  Cl  Cl47  1  0.323  0.785  0.085  1.0
  Cl  Cl48  1  0.785  0.323  0.585  1.0
  Cl  Cl49  1  0.215  0.677  0.415  1.0
  Cl  Cl50  1  0.895  0.863  0.754  1.0
  Cl  Cl51  1  0.105  0.137  0.246  1.0
  Cl  Cl52  1  0.137  0.105  0.746  1.0
  Cl  Cl53  1  0.863  0.895  0.254  1.0
[/CIF]
.
The material described by CuHg3As2Cl3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(5) atom. In the second Cu site, Cu(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cl(2) and two equivalent Cl(4) atoms. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a distorted linear geometry to one As(1) and one As(2) atom. In the second Hg site, Hg(2) is bonded in a linear geometry to two equivalent As(3) atoms. In the third Hg site, Hg(3) is bonded to two equivalent As(3) and two equivalent Cl(2) atoms to form distorted HgAs2Cl2 trigonal pyramids that share corners with two equivalent As(1)Hg3As tetrahedra. In the fourth Hg site, Hg(4) is bonded in a 3-coordinate geometry to one As(2), one As(3), and one Cl(3) atom. In the fifth Hg site, Hg(5) is bonded in a 4-coordinate geometry to one As(1), one As(2), one Cl(1), and one Cl(5) atom. In the sixth Hg site, Hg(6) is bonded in a linear geometry to two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded to one Hg(1), one Hg(5), one Hg(6), and one As(3) atom to form AsHg3As tetrahedra that share  a cornercorner with one As(1)Hg3As tetrahedra, corners with two equivalent As(2)Hg3As tetrahedra, and  a cornercorner with one Hg(3)As2Cl2 trigonal pyramid. In the second As site, As(2) is bonded to one Hg(1), one Hg(4), one Hg(5), and one As(2) atom to form corner-sharing AsHg3As tetrahedra. In the third As site, As(3) is bonded to one Hg(2), one Hg(3), one Hg(4), and one As(1) atom to form corner-sharing AsHg3As tetrahedra. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Hg(5) atom. In the second Cl site, Cl(2) is bonded in a distorted T-shaped geometry to one Cu(1), one Cu(2), and one Hg(3) atom. In the third Cl site, Cl(3) is bonded in a distorted linear geometry to two equivalent Cu(1) and two equivalent Hg(4) atoms. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Cu(2) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one Cu(1) and one Hg(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuHg3As2Cl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.478
_cell_length_b   13.478
_cell_length_c   15.171
_cell_angle_alpha   58.139
_cell_angle_beta   58.139
_cell_angle_gamma   40.142
_symmetry_Int_Tables_number   1
_cell_volume   1469.662
_cell_formula_units_Z   6
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  0.390  0.950  0.727  1.0
  Cu  Cu1  1  0.610  0.050  0.273  1.0
  Cu  Cu2  1  0.050  0.610  0.773  1.0
  Cu  Cu3  1  0.950  0.390  0.227  1.0
  Cu  Cu4  1  0.670  0.330  0.750  1.0
  Cu  Cu5  1  0.330  0.670  0.250  1.0
  Hg  Hg6  1  0.667  0.662  0.003  1.0
  Hg  Hg7  1  0.333  0.338  0.997  1.0
  Hg  Hg8  1  0.338  0.333  0.497  1.0
  Hg  Hg9  1  0.662  0.667  0.503  1.0
  Hg  Hg10  1  0.000  0.000  0.500  1.0
  Hg  Hg11  1  0.000  0.000  0.000  1.0
  Hg  Hg12  1  0.203  0.797  0.750  1.0
  Hg  Hg13  1  0.797  0.203  0.250  1.0
  Hg  Hg14  1  0.827  0.834  0.503  1.0
  Hg  Hg15  1  0.173  0.166  0.497  1.0
  Hg  Hg16  1  0.166  0.173  0.997  1.0
  Hg  Hg17  1  0.834  0.827  0.003  1.0
  Hg  Hg18  1  0.541  0.122  0.749  1.0
  Hg  Hg19  1  0.459  0.878  0.251  1.0
  Hg  Hg20  1  0.878  0.459  0.751  1.0
  Hg  Hg21  1  0.122  0.541  0.249  1.0
  Hg  Hg22  1  0.500  0.500  0.500  1.0
  Hg  Hg23  1  0.500  0.500  0.000  1.0
  As  As24  1  0.543  0.256  0.552  1.0
  As  As25  1  0.457  0.744  0.448  1.0
  As  As26  1  0.744  0.457  0.948  1.0
  As  As27  1  0.256  0.543  0.052  1.0
  As  As28  1  0.410  0.129  0.946  1.0
  As  As29  1  0.590  0.871  0.054  1.0
  As  As30  1  0.871  0.590  0.554  1.0
  As  As31  1  0.129  0.410  0.446  1.0
  As  As32  1  0.200  0.933  0.553  1.0
  As  As33  1  0.800  0.067  0.447  1.0
  As  As34  1  0.067  0.800  0.947  1.0
  As  As35  1  0.933  0.200  0.053  1.0
  Cl  Cl36  1  0.593  0.863  0.755  1.0
  Cl  Cl37  1  0.407  0.137  0.245  1.0
  Cl  Cl38  1  0.137  0.407  0.745  1.0
  Cl  Cl39  1  0.863  0.593  0.255  1.0
  Cl  Cl40  1  0.498  0.656  0.750  1.0
  Cl  Cl41  1  0.502  0.344  0.250  1.0
  Cl  Cl42  1  0.344  0.502  0.750  1.0
  Cl  Cl43  1  0.656  0.498  0.250  1.0
  Cl  Cl44  1  0.500  0.000  0.500  1.0
  Cl  Cl45  1  0.000  0.500  0.000  1.0
  Cl  Cl46  1  0.677  0.215  0.915  1.0
  Cl  Cl47  1  0.323  0.785  0.085  1.0
  Cl  Cl48  1  0.785  0.323  0.585  1.0
  Cl  Cl49  1  0.215  0.677  0.415  1.0
  Cl  Cl50  1  0.895  0.863  0.754  1.0
  Cl  Cl51  1  0.105  0.137  0.246  1.0
  Cl  Cl52  1  0.137  0.105  0.746  1.0
  Cl  Cl53  1  0.863  0.895  0.254  1.0
[/CIF]
.