The material structure described by Cs2Hg2H2OI4Br2 crystallizes in the monoclinic Pc space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one I(2), one I(3), one I(4), two equivalent I(1), one Br(1), and two equivalent Br(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(1), one I(2), two equivalent I(3), two equivalent I(4), one Br(1), and one Br(2) atom. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to one I(1), one I(2), one Br(1), and one Br(2) atom. In the second Hg site, Hg(2) is bonded in a distorted tetrahedral geometry to one I(3), one I(4), one Br(1), and one Br(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to one Cs(1), one Cs(2), one H(1), and one H(2) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Hg(1) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Hg(1) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Hg(2) atom. In the fourth I site, I(4) is bonded to one Cs(1), two equivalent Cs(2), and one Hg(2) atom to form distorted ICs3Hg trigonal pyramids that share corners with three equivalent Br(2)Cs3Hg2 square pyramids, corners with two equivalent I(4)Cs3Hg trigonal pyramids, and  an edgeedge with one Br(2)Cs3Hg2 square pyramid. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a rectangular see-saw-like geometry to one Cs(1), one Cs(2), one Hg(1), and one Hg(2) atom. In the second Br site, Br(2) is bonded to one Cs(2), two equivalent Cs(1), one Hg(1), and one Hg(2) atom to form distorted BrCs3Hg2 square pyramids that share corners with two equivalent Br(2)Cs3Hg2 square pyramids, corners with three equivalent I(4)Cs3Hg trigonal pyramids, and  an edgeedge with one I(4)Cs3Hg trigonal pyramid. is represented by the CIF card [CIF]
data_Cs2Hg2H2I4Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.829
_cell_length_b   14.025
_cell_length_c   9.144
_cell_angle_alpha   90.000
_cell_angle_beta   93.017
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1002.600
_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
  Cs  Cs0  1  0.361  0.199  0.683  1.0
  Cs  Cs1  1  0.361  0.801  0.183  1.0
  Cs  Cs2  1  0.911  0.324  0.055  1.0
  Cs  Cs3  1  0.911  0.676  0.555  1.0
  Hg  Hg4  1  0.812  0.071  0.409  1.0
  Hg  Hg5  1  0.812  0.929  0.909  1.0
  Hg  Hg6  1  0.817  0.356  0.548  1.0
  Hg  Hg7  1  0.817  0.644  0.048  1.0
  H  H8  1  0.375  0.373  0.011  1.0
  H  H9  1  0.375  0.627  0.511  1.0
  H  H10  1  0.385  0.279  0.100  1.0
  H  H11  1  0.385  0.721  0.600  1.0
  I  I12  1  0.582  0.957  0.532  1.0
  I  I13  1  0.582  0.043  0.032  1.0
  I  I14  1  0.113  0.095  0.284  1.0
  I  I15  1  0.113  0.905  0.784  1.0
  I  I16  1  0.598  0.460  0.713  1.0
  I  I17  1  0.598  0.540  0.213  1.0
  I  I18  1  0.111  0.420  0.427  1.0
  I  I19  1  0.111  0.580  0.927  1.0
  Br  Br20  1  0.618  0.244  0.344  1.0
  Br  Br21  1  0.618  0.756  0.844  1.0
  Br  Br22  1  0.891  0.189  0.709  1.0
  Br  Br23  1  0.891  0.811  0.209  1.0
  O  O24  1  0.333  0.308  0.011  1.0
  O  O25  1  0.333  0.692  0.511  1.0
[/CIF]
.
The material structure described by Cs2Hg2H2OI4Br2 crystallizes in the monoclinic Pc space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 9-coordinate geometry to one O(1), one I(2), one I(3), one I(4), two equivalent I(1), one Br(1), and two equivalent Br(2) atoms. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(1), one I(2), two equivalent I(3), two equivalent I(4), one Br(1), and one Br(2) atom. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 4-coordinate geometry to one I(1), one I(2), one Br(1), and one Br(2) atom. In the second Hg site, Hg(2) is bonded in a distorted tetrahedral geometry to one I(3), one I(4), one Br(1), and one Br(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like geometry to one Cs(1), one Cs(2), one H(1), and one H(2) atom. There are four inequivalent I sites. In the first I site, I(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1) and one Hg(1) atom. In the second I site, I(2) is bonded in a distorted single-bond geometry to one Cs(1), one Cs(2), and one Hg(1) atom. In the third I site, I(3) is bonded in a distorted single-bond geometry to one Cs(1), two equivalent Cs(2), and one Hg(2) atom. In the fourth I site, I(4) is bonded to one Cs(1), two equivalent Cs(2), and one Hg(2) atom to form distorted ICs3Hg trigonal pyramids that share corners with three equivalent Br(2)Cs3Hg2 square pyramids, corners with two equivalent I(4)Cs3Hg trigonal pyramids, and  an edgeedge with one Br(2)Cs3Hg2 square pyramid. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a rectangular see-saw-like geometry to one Cs(1), one Cs(2), one Hg(1), and one Hg(2) atom. In the second Br site, Br(2) is bonded to one Cs(2), two equivalent Cs(1), one Hg(1), and one Hg(2) atom to form distorted BrCs3Hg2 square pyramids that share corners with two equivalent Br(2)Cs3Hg2 square pyramids, corners with three equivalent I(4)Cs3Hg trigonal pyramids, and  an edgeedge with one I(4)Cs3Hg trigonal pyramid. is represented by the CIF card [CIF]
data_Cs2Hg2H2I4Br2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.829
_cell_length_b   14.025
_cell_length_c   9.144
_cell_angle_alpha   90.000
_cell_angle_beta   93.017
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1002.600
_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
  Cs  Cs0  1  0.361  0.199  0.683  1.0
  Cs  Cs1  1  0.361  0.801  0.183  1.0
  Cs  Cs2  1  0.911  0.324  0.055  1.0
  Cs  Cs3  1  0.911  0.676  0.555  1.0
  Hg  Hg4  1  0.812  0.071  0.409  1.0
  Hg  Hg5  1  0.812  0.929  0.909  1.0
  Hg  Hg6  1  0.817  0.356  0.548  1.0
  Hg  Hg7  1  0.817  0.644  0.048  1.0
  H  H8  1  0.375  0.373  0.011  1.0
  H  H9  1  0.375  0.627  0.511  1.0
  H  H10  1  0.385  0.279  0.100  1.0
  H  H11  1  0.385  0.721  0.600  1.0
  I  I12  1  0.582  0.957  0.532  1.0
  I  I13  1  0.582  0.043  0.032  1.0
  I  I14  1  0.113  0.095  0.284  1.0
  I  I15  1  0.113  0.905  0.784  1.0
  I  I16  1  0.598  0.460  0.713  1.0
  I  I17  1  0.598  0.540  0.213  1.0
  I  I18  1  0.111  0.420  0.427  1.0
  I  I19  1  0.111  0.580  0.927  1.0
  Br  Br20  1  0.618  0.244  0.344  1.0
  Br  Br21  1  0.618  0.756  0.844  1.0
  Br  Br22  1  0.891  0.189  0.709  1.0
  Br  Br23  1  0.891  0.811  0.209  1.0
  O  O24  1  0.333  0.308  0.011  1.0
  O  O25  1  0.333  0.692  0.511  1.0
[/CIF]
.