data_KSbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.9
_cell_length_b   9.9
_cell_length_c   9.9
_cell_angle_alpha   22.33
_cell_angle_beta   22.33
_cell_angle_gamma   22.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KSbBr2
_chemical_formula_sum   'K1 Sb1 Br2'
_cell_volume   122.84
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.0  0.0  0.48  1.0
  Br  Br0  1  0.0  0.0  0.35  1.0
  Br  Br1  1  0.0  0.0  0.6  1.0

data_KSbBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.64
_cell_length_b   3.83
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   102.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KSbBr2
_chemical_formula_sum   'K2 Sb2 Br4'
_cell_volume   245.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.52  1.0
  Br  Br2  2  0.0  0.0  0.4  1.0
  Br  Br3  2  0.0  0.0  0.65  1.0

K Sb Br Br
K Sb Br Br 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o - 0 2 o o o 1 2 o o o 1 3 o o o 
KSbBr2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KSbBr2 clusters. K(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The K(1)-Br(1) bond length is 3.42 Å. Sb(1) is bonded in a linear geometry to one Br(1) and one Br(2) atom. The Sb(1)-Br(1) bond length is 1.28 Å. The Sb(1)-Br(2) bond length is 1.28 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one K(1) and one Sb(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Sb(1) atom.