data_Cr24Se5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82
_cell_length_b   7.82
_cell_length_c   7.82
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr24Se5
_chemical_formula_sum   'Cr24 Se5'
_cell_volume   367.9
_cell_formula_units_Z   1
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
  Cr  Cr0  1  0.83  0.17  0.67  1.0
  Cr  Cr1  1  0.17  0.83  0.67  1.0
  Cr  Cr2  1  0.83  0.83  0.36  1.0
  Cr  Cr3  1  0.68  0.68  0.85  1.0
  Cr  Cr4  1  0.83  0.36  0.83  1.0
  Cr  Cr5  1  0.68  0.85  0.68  1.0
  Cr  Cr6  1  0.17  0.67  0.83  1.0
  Cr  Cr7  1  0.83  0.67  0.17  1.0
  Cr  Cr8  1  0.67  0.17  0.83  1.0
  Cr  Cr9  1  0.67  0.83  0.17  1.0
  Cr  Cr10  1  0.85  0.68  0.68  1.0
  Cr  Cr11  1  0.36  0.83  0.83  1.0
  Cr  Cr12  1  0.75  0.25  0.84  1.0
  Cr  Cr13  1  0.25  0.75  0.84  1.0
  Cr  Cr14  1  0.26  0.26  0.68  1.0
  Cr  Cr15  1  0.25  0.25  0.19  1.0
  Cr  Cr16  1  0.26  0.68  0.26  1.0
  Cr  Cr17  1  0.25  0.19  0.25  1.0
  Cr  Cr18  1  0.25  0.84  0.75  1.0
  Cr  Cr19  1  0.75  0.84  0.25  1.0
  Cr  Cr20  1  0.84  0.25  0.75  1.0
  Cr  Cr21  1  0.84  0.75  0.25  1.0
  Cr  Cr22  1  0.19  0.25  0.25  1.0
  Cr  Cr23  1  0.68  0.26  0.26  1.0
  Se  Se24  1  0.69  0.31  0.69  1.0
  Se  Se25  1  0.31  0.69  0.69  1.0
  Se  Se26  1  0.69  0.69  0.31  1.0
  Se  Se27  1  0.82  0.82  0.82  1.0
  Se  Se28  1  0.0  0.0  0.0  1.0

data_Cr24Se5
_symmetry_space_group_name_H-M   R3m
_cell_length_a   12.77
_cell_length_b   12.77
_cell_length_c   7.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Cr24Se5
_chemical_formula_sum   'Cr72 Se15'
_cell_volume   1103.69
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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
  Cr  Cr0  18  0.11  0.39  0.56  1.0
  Cr  Cr1  18  0.14  0.36  0.61  1.0
  Cr  Cr2  9  0.02  0.51  0.34  1.0
  Cr  Cr3  9  0.02  0.04  0.23  1.0
  Cr  Cr4  9  0.11  0.05  0.74  1.0
  Cr  Cr5  9  0.2  0.39  0.07  1.0
  Se  Se6  9  0.08  0.54  0.23  1.0
  Se  Se7  3  0.0  0.0  0.0  1.0
  Se  Se8  3  0.0  0.0  0.82  1.0

Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Se Se Se Se Se
Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Se Se Se Se Se 0 20 o o o 0 14 + o o 0 16 o - o 0 23 o o o 1 18 o o o 1 14 o + o 1 16 o o o 1 23 - o o 2 19 o o o 2 21 o o o 2 14 + + o 2 16 o o o 2 23 o o o 2 26 o o o 3 27 o o o 3 14 o o o 4 12 o o o 4 20 o o o 4 14 o o o 4 16 + o + 4 23 o o o 4 24 o o o 5 27 o o o 5 16 o o o 6 13 o o o 6 14 o o o 6 16 o o + 6 23 - o o 7 21 o o o 7 14 o o - 7 16 + o o 7 23 o o o 8 12 o o o 8 14 o o o 8 16 o - o 8 23 o o + 9 19 o o o 9 14 o o - 9 16 o o o 9 23 o + o 10 27 o o o 10 23 o o o 11 13 o o o 11 18 o o o 11 14 o o o 11 16 o o o 11 23 o + + 11 25 o o o 12 14 o o o 12 16 + o + 12 23 o o + 13 14 o o o 13 16 o o + 13 23 o + + 14 22 o o o 14 15 o o o 14 21 - - o 14 19 - - o 14 20 - o o 14 25 o o o 14 17 o o o 14 18 o - o 14 24 o o o 15 22 o o o 15 17 o o o 15 16 o o o 15 23 o o o 16 20 - o - 16 18 o o o 16 21 - o o 16 22 o o o 16 17 o o o 16 26 o o o 16 19 o o o 16 25 o o o 17 22 o o o 17 23 o o o 18 23 o + + 19 23 o + o 20 23 o o o 21 23 o o o 22 23 o o o 23 26 o o o 23 24 o o o 27 28 + + + 
(Cr6Se)3(Cr3Se)2 is Cubic alpha N2-like structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Cr3Se clusters and three Cr6Se clusters. In each Cr3Se cluster, there are two inequivalent Cr sites. In the first Cr site, Cr(3) is bonded in a single-bond geometry to one Se(2) atom. The Cr(3)-Se(2) bond length is 1.39 Å. In the second Cr site, Cr(6) is bonded in a 3-coordinate geometry to two equivalent Cr(6) and one Se(3) atom. Both Cr(6)-Cr(6) bond lengths are 0.78 Å. The Cr(6)-Se(3) bond length is 1.86 Å. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded in a 3-coordinate geometry to three equivalent Cr(3) and one Se(3) atom. The Se(2)-Se(3) bond length is 1.38 Å. In the second Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(6) and one Se(2) atom. In each Cr6Se cluster, there are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Cr(4) atom. The Cr(1)-Cr(4) bond length is 0.71 Å. In the second Cr site, Cr(2) is bonded in a distorted single-bond geometry to two equivalent Cr(4) and one Se(1) atom. Both Cr(2)-Cr(4) bond lengths are 0.91 Å. The Cr(2)-Se(1) bond length is 1.10 Å. In the third Cr site, Cr(4) is bonded in a 4-coordinate geometry to one Cr(1), one Cr(2), one Cr(4), and one Se(1) atom. The Cr(4)-Cr(4) bond length is 1.14 Å. The Cr(4)-Se(1) bond length is 1.39 Å. In the fourth Cr site, Cr(5) is bonded in a 2-coordinate geometry to two equivalent Se(1) atoms. Both Cr(5)-Se(1) bond lengths are 3.19 Å. Se(1) is bonded in a distorted single-bond geometry to one Cr(2), two equivalent Cr(4), and two equivalent Cr(5) atoms.