data_KLa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   10.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Cu
_chemical_formula_sum   'K1 La2 Cu1'
_cell_volume   141.64
_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
  La  La2  1  0.46  0.0  0.67  1.0
  La  La3  1  0.46  0.0  0.13  1.0
  Cu  Cu0  1  0.0  0.0  0.4  1.0

data_KLa2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   10.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Cu
_chemical_formula_sum   'K1 La2 Cu1'
_cell_volume   141.64
_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  0.46  0.0  0.13  1.0
  La  La2  1  0.46  0.0  0.67  1.0
  Cu  Cu3  1  0.0  0.0  0.4  1.0

K La La Cu
KLa2Cu crystallizes in the triclinic P1 space group. K(1) is bonded in a distorted water-like geometry to two equivalent La(1) and two equivalent La(2) atoms. There is one shorter (3.92 Å) and one longer (4.07 Å) K(1)-La(1) bond length. There is one shorter (2.14 Å) and one longer (2.40 Å) K(1)-La(2) bond length. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to two equivalent K(1), four equivalent La(1), and two equivalent Cu(1) atoms. All La(1)-La(1) bond lengths are 3.63 Å. There is one shorter (3.37 Å) and one longer (3.54 Å) La(1)-Cu(1) bond length. In the second La site, La(2) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Cu(1) atoms. There is one shorter (3.37 Å) and one longer (3.54 Å) La(2)-Cu(1) bond length. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent La(1) and two equivalent La(2) atoms.