data_K2CoBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CoBr
_chemical_formula_sum   'K2 Co1 Br1'
_cell_volume   135.33
_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  0.81  0.0  0.22  1.0
  K  K3  1  0.81  0.0  0.16  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.19  1.0

data_K2CoBr
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2CoBr
_chemical_formula_sum   'K2 Co1 Br1'
_cell_volume   135.36
_cell_formula_units_Z   1
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  1  0.81  0.0  0.16  1.0
  K  K1  1  0.81  0.0  0.22  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.0  0.19  1.0

K K Co Br
K2CoBr crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one K2CoBr cluster. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 2-coordinate geometry to one K(2) and one Br(1) atom. The K(1)-K(2) bond length is 0.52 Å. The K(1)-Br(1) bond length is 0.82 Å. In the second K site, K(2) is bonded in a distorted single-bond geometry to one K(1), one Co(1), and one Br(1) atom. The K(2)-Co(1) bond length is 1.56 Å. The K(2)-Br(1) bond length is 0.82 Å. Co(1) is bonded in a 2-coordinate geometry to one K(2) and one Br(1) atom. The Co(1)-Br(1) bond length is 1.61 Å. Br(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), and one Co(1) atom.