data_KLa2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   5.83
_cell_angle_alpha   123.56
_cell_angle_beta   123.56
_cell_angle_gamma   83.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Ti
_chemical_formula_sum   'K1 La2 Ti1'
_cell_volume   131.59
_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  0.76  0.0  0.17  1.0
  La  La2  1  0.0  0.76  0.17  1.0
  Ti  Ti3  1  0.0  0.0  0.33  1.0

data_KLa2Ti
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.79
_cell_length_b   7.79
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   131.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLa2Ti
_chemical_formula_sum   'K2 La4 Ti2'
_cell_volume   263.17
_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  0.0  1.0
  La  La1  4  0.12  0.12  0.41  1.0
  Ti  Ti2  2  0.0  0.0  0.33  1.0

K La La Ti
K La La Ti 0 1 - o o 0 2 o - o 0 3 o o o 1 3 + o o 2 3 o + o 
KLa2Ti is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two KLa2Ti clusters. K(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Ti(1) atom. Both K(1)-La(1) bond lengths are 2.12 Å. The K(1)-Ti(1) bond length is 1.94 Å. La(1) is bonded in a single-bond geometry to one K(1) and one Ti(1) atom. The La(1)-Ti(1) bond length is 1.20 Å. Ti(1) is bonded in a distorted water-like geometry to one K(1) and two equivalent La(1) atoms.