The material described by Hg2Tl3S3O12Cl crystallizes in the monoclinic P2_1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one O(1), one O(12), one O(4), one O(5), and one O(8) atom to form HgO5 trigonal bipyramids that share  a cornercorner with one S(3)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(6), one O(9), and one Cl(1) atom. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one O(6) atom. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(10) atom. In the third Tl site, Tl(3) is bonded in a distorted single-bond geometry to one O(7) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(4), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Hg(1)O5 trigonal bipyramids. In the second S site, S(2) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Hg(1)O5 trigonal bipyramids. In the third S site, S(3) is bonded to one O(12), one O(2), one O(3), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Hg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one S(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Hg(2), one Tl(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Tl(3) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Hg(2) and one S(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Tl(2) and one S(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Hg(2) and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(3) atom. Cl(1) is bonded in a single-bond geometry to one Hg(2) atom. is represented by the CIF card [CIF]
data_Tl3Hg2S3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.778
_cell_length_b   7.918
_cell_length_c   9.886
_cell_angle_alpha   68.960
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   714.413
_cell_formula_units_Z   2
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
  Tl  Tl0  1  0.738  0.091  0.729  1.0
  Tl  Tl1  1  0.875  0.684  0.140  1.0
  Tl  Tl2  1  0.375  0.316  0.860  1.0
  Tl  Tl3  1  0.557  0.324  0.299  1.0
  Tl  Tl4  1  0.238  0.909  0.271  1.0
  Tl  Tl5  1  0.057  0.676  0.701  1.0
  Hg  Hg6  1  0.419  0.757  0.963  1.0
  Hg  Hg7  1  0.137  0.273  0.506  1.0
  Hg  Hg8  1  0.919  0.243  0.037  1.0
  Hg  Hg9  1  0.637  0.727  0.494  1.0
  S  S10  1  0.088  0.016  0.890  1.0
  S  S11  1  0.201  0.442  0.137  1.0
  S  S12  1  0.588  0.984  0.110  1.0
  S  S13  1  0.886  0.088  0.390  1.0
  S  S14  1  0.701  0.558  0.863  1.0
  S  S15  1  0.386  0.912  0.610  1.0
  Cl  Cl16  1  0.302  0.486  0.509  1.0
  Cl  Cl17  1  0.802  0.514  0.491  1.0
  O  O18  1  0.350  0.486  0.094  1.0
  O  O19  1  0.954  0.122  0.517  1.0
  O  O20  1  0.461  0.048  0.646  1.0
  O  O21  1  0.541  0.989  0.962  1.0
  O  O22  1  0.631  0.572  0.991  1.0
  O  O23  1  0.961  0.952  0.354  1.0
  O  O24  1  0.204  0.265  0.257  1.0
  O  O25  1  0.010  0.875  0.859  1.0
  O  O26  1  0.131  0.428  0.009  1.0
  O  O27  1  0.454  0.878  0.483  1.0
  O  O28  1  0.736  0.021  0.099  1.0
  O  O29  1  0.041  0.011  0.038  1.0
  O  O30  1  0.746  0.029  0.441  1.0
  O  O31  1  0.643  0.417  0.818  1.0
  O  O32  1  0.143  0.583  0.182  1.0
  O  O33  1  0.704  0.735  0.743  1.0
  O  O34  1  0.510  0.125  0.141  1.0
  O  O35  1  0.236  0.979  0.901  1.0
  O  O36  1  0.850  0.514  0.906  1.0
  O  O37  1  0.060  0.197  0.784  1.0
  O  O38  1  0.879  0.264  0.266  1.0
  O  O39  1  0.379  0.736  0.734  1.0
  O  O40  1  0.560  0.803  0.216  1.0
  O  O41  1  0.246  0.971  0.559  1.0
[/CIF]
.
The material described by Hg2Tl3S3O12Cl crystallizes in the monoclinic P2_1 space group. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to one O(1), one O(12), one O(4), one O(5), and one O(8) atom to form HgO5 trigonal bipyramids that share  a cornercorner with one S(3)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(6), one O(9), and one Cl(1) atom. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one O(6) atom. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(10) atom. In the third Tl site, Tl(3) is bonded in a distorted single-bond geometry to one O(7) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded to one O(11), one O(4), one O(7), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Hg(1)O5 trigonal bipyramids. In the second S site, S(2) is bonded to one O(1), one O(10), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with two equivalent Hg(1)O5 trigonal bipyramids. In the third S site, S(3) is bonded to one O(12), one O(2), one O(3), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Hg(1)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Hg(2) and one S(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one S(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Hg(2), one Tl(1), and one S(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Tl(3) and one S(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Hg(1) and one S(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Hg(2) and one S(3) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Tl(2) and one S(2) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Hg(2) and one S(1) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Hg(1) and one S(3) atom. Cl(1) is bonded in a single-bond geometry to one Hg(2) atom. is represented by the CIF card [CIF]
data_Tl3Hg2S3ClO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.778
_cell_length_b   7.918
_cell_length_c   9.886
_cell_angle_alpha   68.960
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   714.413
_cell_formula_units_Z   2
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
  Tl  Tl0  1  0.738  0.091  0.729  1.0
  Tl  Tl1  1  0.875  0.684  0.140  1.0
  Tl  Tl2  1  0.375  0.316  0.860  1.0
  Tl  Tl3  1  0.557  0.324  0.299  1.0
  Tl  Tl4  1  0.238  0.909  0.271  1.0
  Tl  Tl5  1  0.057  0.676  0.701  1.0
  Hg  Hg6  1  0.419  0.757  0.963  1.0
  Hg  Hg7  1  0.137  0.273  0.506  1.0
  Hg  Hg8  1  0.919  0.243  0.037  1.0
  Hg  Hg9  1  0.637  0.727  0.494  1.0
  S  S10  1  0.088  0.016  0.890  1.0
  S  S11  1  0.201  0.442  0.137  1.0
  S  S12  1  0.588  0.984  0.110  1.0
  S  S13  1  0.886  0.088  0.390  1.0
  S  S14  1  0.701  0.558  0.863  1.0
  S  S15  1  0.386  0.912  0.610  1.0
  Cl  Cl16  1  0.302  0.486  0.509  1.0
  Cl  Cl17  1  0.802  0.514  0.491  1.0
  O  O18  1  0.350  0.486  0.094  1.0
  O  O19  1  0.954  0.122  0.517  1.0
  O  O20  1  0.461  0.048  0.646  1.0
  O  O21  1  0.541  0.989  0.962  1.0
  O  O22  1  0.631  0.572  0.991  1.0
  O  O23  1  0.961  0.952  0.354  1.0
  O  O24  1  0.204  0.265  0.257  1.0
  O  O25  1  0.010  0.875  0.859  1.0
  O  O26  1  0.131  0.428  0.009  1.0
  O  O27  1  0.454  0.878  0.483  1.0
  O  O28  1  0.736  0.021  0.099  1.0
  O  O29  1  0.041  0.011  0.038  1.0
  O  O30  1  0.746  0.029  0.441  1.0
  O  O31  1  0.643  0.417  0.818  1.0
  O  O32  1  0.143  0.583  0.182  1.0
  O  O33  1  0.704  0.735  0.743  1.0
  O  O34  1  0.510  0.125  0.141  1.0
  O  O35  1  0.236  0.979  0.901  1.0
  O  O36  1  0.850  0.514  0.906  1.0
  O  O37  1  0.060  0.197  0.784  1.0
  O  O38  1  0.879  0.264  0.266  1.0
  O  O39  1  0.379  0.736  0.734  1.0
  O  O40  1  0.560  0.803  0.216  1.0
  O  O41  1  0.246  0.971  0.559  1.0
[/CIF]
.