data_KLa2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Cu
_chemical_formula_sum   'K1 La2 Cu1'
_cell_volume   128.69
_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  0.86  0.89  0.29  1.0
  La  La3  1  0.86  0.11  0.29  1.0
  Cu  Cu0  1  0.72  0.0  0.0  1.0

data_KLa2Cu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.57
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KLa2Cu
_chemical_formula_sum   'K1 La2 Cu1'
_cell_volume   128.72
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.29  0.11  0.86  1.0
  Cu  Cu2  1  0.0  0.0  0.72  1.0

K La La Cu
K La La Cu 0 1 - - o 0 3 - o o 0 2 - o o 1 2 o + o 1 3 o + o 2 3 o o o 
KLa2Cu is alpha Po structured and crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one KLa2Cu cluster. K(1) is bonded in a distorted single-bond geometry to two equivalent La(1) and one Cu(1) atom. Both K(1)-La(1) bond lengths are 1.61 Å. The K(1)-Cu(1) bond length is 1.50 Å. La(1) is bonded in a 3-coordinate geometry to one K(1), one La(1), and one Cu(1) atom. The La(1)-La(1) bond length is 1.13 Å. The La(1)-Cu(1) bond length is 1.61 Å. Cu(1) is bonded in a distorted single-bond geometry to one K(1) and two equivalent La(1) atoms.