data_KNaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaB
_chemical_formula_sum   'K1 Na1 B1'
_cell_volume   93.63
_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  0.41  0.41  0.41  1.0
  Na  Na2  1  0.6  0.6  0.6  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_KNaB
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   12.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KNaB
_chemical_formula_sum   'K3 Na3 B3'
_cell_volume   280.9
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  K  K0  3  0.0  0.0  0.59  1.0
  Na  Na1  3  0.0  0.0  0.4  1.0
  B  B2  3  0.0  0.0  0.0  1.0

K Na B
KNaB crystallizes in the trigonal R3m space group. K(1) is bonded to one Na(1) and three equivalent B(1) atoms to form distorted KNaB3 tetrahedra that share corners with three equivalent Na(1)KB3 tetrahedra, corners with six equivalent K(1)NaB3 tetrahedra, and edges with three equivalent Na(1)KB3 tetrahedra. The K(1)-Na(1) bond length is 2.47 Å. All K(1)-B(1) bond lengths are 3.08 Å. Na(1) is bonded to one K(1) and three equivalent B(1) atoms to form distorted NaKB3 tetrahedra that share corners with three equivalent K(1)NaB3 tetrahedra, corners with six equivalent Na(1)KB3 tetrahedra, and edges with three equivalent K(1)NaB3 tetrahedra. All Na(1)-B(1) bond lengths are 3.04 Å. B(1) is bonded in a distorted hexagonal planar geometry to three equivalent K(1) and three equivalent Na(1) atoms.