The structure described by CsTi2I7 crystallizes in the cubic Pa-3 space group. Cs(1) is bonded to twelve equivalent I(2) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra and edges with six equivalent Ti(1)I4 tetrahedra. Ti(1) is bonded to one I(1) and three equivalent I(2) atoms to form TiI4 tetrahedra that share  a cornercorner with one Ti(1)I4 tetrahedra and edges with three equivalent Cs(1)I12 cuboctahedra. There are two inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one Ti(1) atom. In the second I site, I(1) is bonded in a linear geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTi2I7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.625
_cell_length_b   12.625
_cell_length_c   12.625
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2012.154
_cell_formula_units_Z   4
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  0.500  0.000  0.500  1.0
  Cs  Cs1  1  0.000  0.500  0.500  1.0
  Cs  Cs2  1  0.500  0.500  0.000  1.0
  Cs  Cs3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.378  0.378  0.378  1.0
  Ti  Ti5  1  0.122  0.878  0.378  1.0
  Ti  Ti6  1  0.878  0.378  0.122  1.0
  Ti  Ti7  1  0.378  0.122  0.878  1.0
  Ti  Ti8  1  0.878  0.122  0.622  1.0
  Ti  Ti9  1  0.622  0.622  0.622  1.0
  Ti  Ti10  1  0.622  0.878  0.122  1.0
  Ti  Ti11  1  0.122  0.622  0.878  1.0
  I  I12  1  0.000  0.000  0.500  1.0
  I  I13  1  0.237  0.000  0.256  1.0
  I  I14  1  0.500  0.000  0.000  1.0
  I  I15  1  0.000  0.500  0.000  1.0
  I  I16  1  0.263  0.500  0.256  1.0
  I  I17  1  0.256  0.263  0.500  1.0
  I  I18  1  0.500  0.256  0.263  1.0
  I  I19  1  0.737  0.500  0.744  1.0
  I  I20  1  0.744  0.737  0.500  1.0
  I  I21  1  0.500  0.744  0.737  1.0
  I  I22  1  0.500  0.500  0.500  1.0
  I  I23  1  0.737  0.000  0.244  1.0
  I  I24  1  0.244  0.737  0.000  1.0
  I  I25  1  0.000  0.244  0.737  1.0
  I  I26  1  0.263  1.000  0.756  1.0
  I  I27  1  0.756  0.263  1.000  1.0
  I  I28  1  1.000  0.756  0.263  1.0
  I  I29  1  0.500  0.756  0.237  1.0
  I  I30  1  0.237  0.500  0.756  1.0
  I  I31  1  0.756  0.237  0.500  1.0
  I  I32  1  0.500  0.244  0.763  1.0
  I  I33  1  0.763  0.500  0.244  1.0
  I  I34  1  0.244  0.763  0.500  1.0
  I  I35  1  0.744  0.763  1.000  1.0
  I  I36  1  1.000  0.744  0.763  1.0
  I  I37  1  0.763  1.000  0.744  1.0
  I  I38  1  0.256  0.237  0.000  1.0
  I  I39  1  0.000  0.256  0.237  1.0
[/CIF]
.
The structure described by CsTi2I7 crystallizes in the cubic Pa-3 space group. Cs(1) is bonded to twelve equivalent I(2) atoms to form CsI12 cuboctahedra that share corners with twelve equivalent Cs(1)I12 cuboctahedra and edges with six equivalent Ti(1)I4 tetrahedra. Ti(1) is bonded to one I(1) and three equivalent I(2) atoms to form TiI4 tetrahedra that share  a cornercorner with one Ti(1)I4 tetrahedra and edges with three equivalent Cs(1)I12 cuboctahedra. There are two inequivalent I sites. In the first I site, I(2) is bonded in a single-bond geometry to two equivalent Cs(1) and one Ti(1) atom. In the second I site, I(1) is bonded in a linear geometry to two equivalent Ti(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTi2I7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.625
_cell_length_b   12.625
_cell_length_c   12.625
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   2012.154
_cell_formula_units_Z   4
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  0.500  0.000  0.500  1.0
  Cs  Cs1  1  0.000  0.500  0.500  1.0
  Cs  Cs2  1  0.500  0.500  0.000  1.0
  Cs  Cs3  1  0.000  0.000  0.000  1.0
  Ti  Ti4  1  0.378  0.378  0.378  1.0
  Ti  Ti5  1  0.122  0.878  0.378  1.0
  Ti  Ti6  1  0.878  0.378  0.122  1.0
  Ti  Ti7  1  0.378  0.122  0.878  1.0
  Ti  Ti8  1  0.878  0.122  0.622  1.0
  Ti  Ti9  1  0.622  0.622  0.622  1.0
  Ti  Ti10  1  0.622  0.878  0.122  1.0
  Ti  Ti11  1  0.122  0.622  0.878  1.0
  I  I12  1  0.000  0.000  0.500  1.0
  I  I13  1  0.237  0.000  0.256  1.0
  I  I14  1  0.500  0.000  0.000  1.0
  I  I15  1  0.000  0.500  0.000  1.0
  I  I16  1  0.263  0.500  0.256  1.0
  I  I17  1  0.256  0.263  0.500  1.0
  I  I18  1  0.500  0.256  0.263  1.0
  I  I19  1  0.737  0.500  0.744  1.0
  I  I20  1  0.744  0.737  0.500  1.0
  I  I21  1  0.500  0.744  0.737  1.0
  I  I22  1  0.500  0.500  0.500  1.0
  I  I23  1  0.737  0.000  0.244  1.0
  I  I24  1  0.244  0.737  0.000  1.0
  I  I25  1  0.000  0.244  0.737  1.0
  I  I26  1  0.263  1.000  0.756  1.0
  I  I27  1  0.756  0.263  1.000  1.0
  I  I28  1  1.000  0.756  0.263  1.0
  I  I29  1  0.500  0.756  0.237  1.0
  I  I30  1  0.237  0.500  0.756  1.0
  I  I31  1  0.756  0.237  0.500  1.0
  I  I32  1  0.500  0.244  0.763  1.0
  I  I33  1  0.763  0.500  0.244  1.0
  I  I34  1  0.244  0.763  0.500  1.0
  I  I35  1  0.744  0.763  1.000  1.0
  I  I36  1  1.000  0.744  0.763  1.0
  I  I37  1  0.763  1.000  0.744  1.0
  I  I38  1  0.256  0.237  0.000  1.0
  I  I39  1  0.000  0.256  0.237  1.0
[/CIF]
.