The structure described by Cs5As(PSe3)4 crystallizes in the tetragonal P4_2/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one Se(2), two equivalent Se(1), three equivalent Se(3), and four equivalent Se(4) atoms. In the third Cs site, Cs(3) is bonded in a distorted q6 geometry to two equivalent Se(2), four equivalent Se(1), and four equivalent Se(4) atoms. As(1) is bonded to two equivalent Se(2) and four equivalent Se(4) atoms to form AsSe6 octahedra that share edges with two equivalent P(1)PSe3 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one P(2), one Se(3), and two equivalent Se(4) atoms to form distorted PPSe3 tetrahedra that share  an edgeedge with one As(1)Se6 octahedra. In the second P site, P(2) is bonded in a 4-coordinate geometry to one P(1), one Se(2), and two equivalent Se(1) atoms. There are four inequivalent Se sites. In the first Se site, Se(3) is bonded in a distorted single-bond geometry to three equivalent Cs(2) and one P(1) atom. In the second Se site, Se(4) is bonded in a 6-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), one As(1), and one P(1) atom. In the third Se site, Se(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one P(2) atom. In the fourth Se site, Se(2) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(3), one As(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Cs5As(PSe3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.243
_cell_length_b   14.243
_cell_length_c   7.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1575.622
_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  0.000  0.000  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Cs  Cs2  1  0.318  0.343  0.500  1.0
  Cs  Cs3  1  0.682  0.657  0.500  1.0
  Cs  Cs4  1  0.657  0.318  0.000  1.0
  Cs  Cs5  1  0.343  0.682  0.000  1.0
  Cs  Cs6  1  0.322  0.968  0.500  1.0
  Cs  Cs7  1  0.678  0.032  0.500  1.0
  Cs  Cs8  1  0.032  0.322  0.000  1.0
  Cs  Cs9  1  0.968  0.678  0.000  1.0
  As  As10  1  0.000  0.500  0.500  1.0
  As  As11  1  0.500  0.000  0.000  1.0
  P  P12  1  0.201  0.608  0.500  1.0
  P  P13  1  0.799  0.392  0.500  1.0
  P  P14  1  0.392  0.201  0.000  1.0
  P  P15  1  0.608  0.799  0.000  1.0
  P  P16  1  0.115  0.745  0.500  1.0
  P  P17  1  0.885  0.255  0.500  1.0
  P  P18  1  0.255  0.115  0.000  1.0
  P  P19  1  0.745  0.885  0.000  1.0
  Se  Se20  1  0.150  0.819  0.263  1.0
  Se  Se21  1  0.850  0.181  0.263  1.0
  Se  Se22  1  0.181  0.150  0.763  1.0
  Se  Se23  1  0.819  0.850  0.763  1.0
  Se  Se24  1  0.850  0.181  0.737  1.0
  Se  Se25  1  0.150  0.819  0.737  1.0
  Se  Se26  1  0.819  0.850  0.237  1.0
  Se  Se27  1  0.181  0.150  0.237  1.0
  Se  Se28  1  0.033  0.311  0.500  1.0
  Se  Se29  1  0.967  0.689  0.500  1.0
  Se  Se30  1  0.689  0.033  0.000  1.0
  Se  Se31  1  0.311  0.967  0.000  1.0
  Se  Se32  1  0.350  0.634  0.500  1.0
  Se  Se33  1  0.650  0.366  0.500  1.0
  Se  Se34  1  0.366  0.350  0.000  1.0
  Se  Se35  1  0.634  0.650  0.000  1.0
  Se  Se36  1  0.147  0.529  0.272  1.0
  Se  Se37  1  0.853  0.471  0.272  1.0
  Se  Se38  1  0.471  0.147  0.772  1.0
  Se  Se39  1  0.529  0.853  0.772  1.0
  Se  Se40  1  0.853  0.471  0.728  1.0
  Se  Se41  1  0.147  0.529  0.728  1.0
  Se  Se42  1  0.529  0.853  0.228  1.0
  Se  Se43  1  0.471  0.147  0.228  1.0
[/CIF]
.
The structure described by Cs5As(PSe3)4 crystallizes in the tetragonal P4_2/m space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Se(1) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one Se(2), two equivalent Se(1), three equivalent Se(3), and four equivalent Se(4) atoms. In the third Cs site, Cs(3) is bonded in a distorted q6 geometry to two equivalent Se(2), four equivalent Se(1), and four equivalent Se(4) atoms. As(1) is bonded to two equivalent Se(2) and four equivalent Se(4) atoms to form AsSe6 octahedra that share edges with two equivalent P(1)PSe3 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one P(2), one Se(3), and two equivalent Se(4) atoms to form distorted PPSe3 tetrahedra that share  an edgeedge with one As(1)Se6 octahedra. In the second P site, P(2) is bonded in a 4-coordinate geometry to one P(1), one Se(2), and two equivalent Se(1) atoms. There are four inequivalent Se sites. In the first Se site, Se(3) is bonded in a distorted single-bond geometry to three equivalent Cs(2) and one P(1) atom. In the second Se site, Se(4) is bonded in a 6-coordinate geometry to two equivalent Cs(2), two equivalent Cs(3), one As(1), and one P(1) atom. In the third Se site, Se(1) is bonded in a distorted single-bond geometry to one Cs(2), two equivalent Cs(1), two equivalent Cs(3), and one P(2) atom. In the fourth Se site, Se(2) is bonded in a 2-coordinate geometry to one Cs(2), two equivalent Cs(3), one As(1), and one P(2) atom. is represented by the CIF card [CIF]
data_Cs5As(PSe3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.243
_cell_length_b   14.243
_cell_length_c   7.767
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1575.622
_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  0.000  0.000  0.500  1.0
  Cs  Cs1  1  0.000  0.000  0.000  1.0
  Cs  Cs2  1  0.318  0.343  0.500  1.0
  Cs  Cs3  1  0.682  0.657  0.500  1.0
  Cs  Cs4  1  0.657  0.318  0.000  1.0
  Cs  Cs5  1  0.343  0.682  0.000  1.0
  Cs  Cs6  1  0.322  0.968  0.500  1.0
  Cs  Cs7  1  0.678  0.032  0.500  1.0
  Cs  Cs8  1  0.032  0.322  0.000  1.0
  Cs  Cs9  1  0.968  0.678  0.000  1.0
  As  As10  1  0.000  0.500  0.500  1.0
  As  As11  1  0.500  0.000  0.000  1.0
  P  P12  1  0.201  0.608  0.500  1.0
  P  P13  1  0.799  0.392  0.500  1.0
  P  P14  1  0.392  0.201  0.000  1.0
  P  P15  1  0.608  0.799  0.000  1.0
  P  P16  1  0.115  0.745  0.500  1.0
  P  P17  1  0.885  0.255  0.500  1.0
  P  P18  1  0.255  0.115  0.000  1.0
  P  P19  1  0.745  0.885  0.000  1.0
  Se  Se20  1  0.150  0.819  0.263  1.0
  Se  Se21  1  0.850  0.181  0.263  1.0
  Se  Se22  1  0.181  0.150  0.763  1.0
  Se  Se23  1  0.819  0.850  0.763  1.0
  Se  Se24  1  0.850  0.181  0.737  1.0
  Se  Se25  1  0.150  0.819  0.737  1.0
  Se  Se26  1  0.819  0.850  0.237  1.0
  Se  Se27  1  0.181  0.150  0.237  1.0
  Se  Se28  1  0.033  0.311  0.500  1.0
  Se  Se29  1  0.967  0.689  0.500  1.0
  Se  Se30  1  0.689  0.033  0.000  1.0
  Se  Se31  1  0.311  0.967  0.000  1.0
  Se  Se32  1  0.350  0.634  0.500  1.0
  Se  Se33  1  0.650  0.366  0.500  1.0
  Se  Se34  1  0.366  0.350  0.000  1.0
  Se  Se35  1  0.634  0.650  0.000  1.0
  Se  Se36  1  0.147  0.529  0.272  1.0
  Se  Se37  1  0.853  0.471  0.272  1.0
  Se  Se38  1  0.471  0.147  0.772  1.0
  Se  Se39  1  0.529  0.853  0.772  1.0
  Se  Se40  1  0.853  0.471  0.728  1.0
  Se  Se41  1  0.147  0.529  0.728  1.0
  Se  Se42  1  0.529  0.853  0.228  1.0
  Se  Se43  1  0.471  0.147  0.228  1.0
[/CIF]
.