data_KY2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   12.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Ti
_chemical_formula_sum   'K1 Y2 Ti1'
_cell_volume   130.67
_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  0.88  1.0
  Y  Y2  1  0.0  0.0  0.25  1.0
  Y  Y3  1  0.91  0.0  0.48  1.0
  Ti  Ti1  1  0.91  0.0  0.64  1.0

data_KY2Ti
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   12.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Ti
_chemical_formula_sum   'K1 Y2 Ti1'
_cell_volume   130.67
_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  0.88  1.0
  Y  Y1  1  0.0  0.0  0.25  1.0
  Y  Y2  1  0.91  0.0  0.48  1.0
  Ti  Ti3  1  0.91  0.0  0.64  1.0

K Y Y Ti
KY2Ti crystallizes in the triclinic P1 space group. K(1) is bonded in a single-bond geometry to one Y(1) and one Ti(1) atom. The K(1)-Y(1) bond length is 4.56 Å. The K(1)-Ti(1) bond length is 2.91 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one K(1), one Y(2), and six equivalent Y(1) atoms. The Y(1)-Y(2) bond length is 2.87 Å. There are four shorter (3.40 Å) and two longer (3.81 Å) Y(1)-Y(1) bond lengths. In the second Y site, Y(2) is bonded in a single-bond geometry to one Y(1) and one Ti(1) atom. The Y(2)-Ti(1) bond length is 1.87 Å. Ti(1) is bonded in a distorted linear geometry to one K(1) and one Y(2) atom.