data_K(SbSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   7.06
_cell_length_c   9.47
_cell_angle_alpha   79.72
_cell_angle_beta   82.99
_cell_angle_gamma   75.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K(SbSe2)2
_chemical_formula_sum   'K2 Sb4 Se8'
_cell_volume   433.15
_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
  K  K0  1  0.41  0.16  0.03  1.0
  K  K1  1  0.35  0.12  0.26  1.0
  Sb  Sb2  1  0.4  0.35  0.41  1.0
  Sb  Sb3  1  0.16  0.37  0.51  1.0
  Sb  Sb4  1  0.6  0.91  0.78  1.0
  Sb  Sb5  1  0.36  0.93  0.88  1.0
  Se  Se6  1  0.74  0.18  0.14  1.0
  Se  Se7  1  0.7  0.63  0.07  1.0
  Se  Se8  1  0.07  0.78  0.55  1.0
  Se  Se9  1  0.28  0.37  0.79  1.0
  Se  Se10  1  0.48  0.9  0.51  1.0
  Se  Se11  1  0.69  0.49  0.74  1.0
  Se  Se12  1  0.06  0.65  0.22  1.0
  Se  Se13  1  0.02  0.1  0.16  1.0

data_K(SbSe2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.82
_cell_length_b   7.06
_cell_length_c   9.47
_cell_angle_alpha   79.72
_cell_angle_beta   82.99
_cell_angle_gamma   75.39
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K(SbSe2)2
_chemical_formula_sum   'K2 Sb4 Se8'
_cell_volume   433.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  K  K0  2  0.03  0.02  0.89  1.0
  Sb  Sb1  2  0.02  0.21  0.27  1.0
  Sb  Sb2  2  0.22  0.77  0.63  1.0
  Se  Se3  2  0.1  0.76  0.36  1.0
  Se  Se4  2  0.31  0.35  0.6  1.0
  Se  Se5  2  0.32  0.49  0.92  1.0
  Se  Se6  2  0.36  0.04  0.99  1.0

K K Sb Sb Sb Sb Se Se Se Se Se Se Se Se
K K Sb Sb Sb Sb Se Se Se Se Se Se Se Se 0 5 o - - 0 1 o o o 0 9 o o - 0 6 o o o 1 13 o o o 1 10 o - o 1 2 o o o 2 3 o o o 2 8 o o o 2 10 o - o 2 12 o o o 3 8 o o o 3 9 o o o 3 11 - o o 3 12 o o o 4 5 o o o 4 7 o o + 4 8 + o o 4 10 o o o 4 11 o o o 5 7 o o + 5 9 o + o 5 11 o o o 6 13 + o o 6 7 o o o 7 11 o o - 7 12 + o o 8 12 o o o 8 11 - o o 8 9 o o o 8 10 o o o 9 11 o o o 10 11 o o o 12 13 o + o 
K(SbSe2)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 5-coordinate geometry to one K(1), one Sb(1), one Sb(2), one Se(2), one Se(4), and two equivalent Se(1) atoms. The K(1)-K(1) bond length is 2.14 Å. The K(1)-Sb(1) bond length is 2.47 Å. The K(1)-Sb(2) bond length is 3.21 Å. The K(1)-Se(2) bond length is 3.78 Å. The K(1)-Se(4) bond length is 2.64 Å. There is one shorter (2.61 Å) and one longer (2.84 Å) K(1)-Se(1) bond length. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 2-coordinate geometry to one K(1), one Sb(2), and one Se(2) atom. The Sb(1)-Sb(2) bond length is 1.80 Å. The Sb(1)-Se(2) bond length is 3.22 Å. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one K(1), one Sb(1), one Se(2), one Se(3), and one Se(4) atom. The Sb(2)-Se(2) bond length is 3.14 Å. The Sb(2)-Se(3) bond length is 2.90 Å. The Sb(2)-Se(4) bond length is 2.81 Å. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to two equivalent K(1), one Se(1), and one Se(2) atom. The Se(1)-Se(1) bond length is 1.91 Å. The Se(1)-Se(2) bond length is 3.09 Å. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one K(1), one Sb(1), one Sb(2), one Se(1), and one Se(2) atom. The Se(2)-Se(2) bond length is 3.03 Å. In the third Se site, Se(3) is bonded in a single-bond geometry to one Sb(2) atom. In the fourth Se site, Se(4) is bonded in a 2-coordinate geometry to one K(1) and one Sb(2) atom.