data_KNa2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Br
_chemical_formula_sum   'K1 Na2 Br1'
_cell_volume   165.11
_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  K1  1  0.0  0.0  0.0  1.0
  Na  Na2  1  0.29  0.0  0.59  1.0
  Na  Na3  1  0.29  0.0  0.3  1.0
  Br  Br0  1  0.0  0.0  0.45  1.0

data_KNa2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.02
_cell_length_b   4.02
_cell_length_c   10.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Br
_chemical_formula_sum   'K1 Na2 Br1'
_cell_volume   165.11
_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  K0  1  0.0  0.0  0.0  1.0
  Na  Na1  1  0.29  0.0  0.3  1.0
  Na  Na2  1  0.29  0.0  0.59  1.0
  Br  Br3  1  0.0  0.0  0.45  1.0

K Na Na Br
KNa2Br crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KNa2Br cluster. K(1) is bonded in a distorted single-bond geometry to one Na(2) atom. The K(1)-Na(2) bond length is 3.51 Å. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Na(1)-Br(1) bond length is 1.95 Å. In the second Na site, Na(2) is bonded in a distorted single-bond geometry to one K(1) and one Br(1) atom. The Na(2)-Br(1) bond length is 1.95 Å. Br(1) is bonded in a distorted water-like geometry to one Na(1) and one Na(2) atom.