data_KNa2La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2La
_chemical_formula_sum   'K1 Na2 La1'
_cell_volume   164.57
_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  0.85  1.0
  Na  Na2  1  0.0  0.0  0.12  1.0
  Na  Na3  1  0.86  0.86  0.58  1.0
  La  La1  1  0.86  0.86  0.29  1.0

data_KNa2La
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   11.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNa2La
_chemical_formula_sum   'K2 Na4 La2'
_cell_volume   329.14
_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  0.85  1.0
  Na  Na1  2  0.0  0.0  0.12  1.0
  Na  Na2  2  0.36  0.5  0.58  1.0
  La  La3  2  0.36  0.5  0.29  1.0

K Na Na La
K Na Na La 0 2 - - o 0 0 + o o 0 0 o + o 0 1 o o + 1 3 - - o 2 2 + o o 2 2 o + o 2 3 o o o 
KNa2La crystallizes in the monoclinic Cm space group. K(1) is bonded to four equivalent K(1), one Na(1), and one Na(2) atom to form distorted KK4Na2 octahedra that share corners with four equivalent K(1)K4Na2 octahedra, edges with four equivalent K(1)K4Na2 octahedra, and edges with four equivalent Na(2)KNa4La octahedra. The corner-sharing octahedra are not tilted. All K(1)-K(1) bond lengths are 3.72 Å. The K(1)-Na(1) bond length is 3.22 Å. The K(1)-Na(2) bond length is 3.35 Å. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted single-bond geometry to one K(1) and one La(1) atom. The Na(1)-La(1) bond length is 2.11 Å. In the second Na site, Na(2) is bonded to one K(1), four equivalent Na(2), and one La(1) atom to form distorted NaKNa4La octahedra that share corners with four equivalent Na(2)KNa4La octahedra, edges with four equivalent K(1)K4Na2 octahedra, and edges with four equivalent Na(2)KNa4La octahedra. The corner-sharing octahedra are not tilted. All Na(2)-Na(2) bond lengths are 3.72 Å. The Na(2)-La(1) bond length is 3.43 Å. La(1) is bonded in a distorted single-bond geometry to one Na(1) and one Na(2) atom.