data_KLa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   5.28
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa3
_chemical_formula_sum   'K1 La3'
_cell_volume   170.0
_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
  La  La1  1  0.86  0.64  0.07  1.0
  La  La2  1  0.0  0.0  0.32  1.0
  La  La3  1  0.86  0.64  0.57  1.0

data_KLa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.28
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa3
_chemical_formula_sum   'K1 La3'
_cell_volume   170.0
_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
  La  La1  1  0.0  0.0  0.32  1.0
  La  La2  1  0.86  0.64  0.07  1.0
  La  La3  1  0.86  0.64  0.57  1.0

K La La La
K La La La 0 1 - - o 0 2 o o o 1 2 + + o 2 3 - - o 
KLa3 crystallizes in the triclinic P1 space group. K(1) is bonded in a 1-coordinate geometry to one La(1), one La(2), and one La(3) atom. The K(1)-La(1) bond length is 2.06 Å. The K(1)-La(2) bond length is 2.80 Å. The K(1)-La(3) bond length is 4.17 Å. There are three inequivalent La sites. In the first La site, La(1) is bonded in a distorted single-bond geometry to one K(1) atom. In the second La site, La(2) is bonded in a 1-coordinate geometry to one K(1) and two equivalent La(3) atoms. There is one shorter (2.93 Å) and one longer (4.05 Å) La(2)-La(3) bond length. In the third La site, La(3) is bonded in a 5-coordinate geometry to one K(1), two equivalent La(2), and two equivalent La(3) atoms. Both La(3)-La(3) bond lengths are 3.72 Å.