data_KY2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   5.77
_cell_angle_alpha   113.89
_cell_angle_beta   113.89
_cell_angle_gamma   30.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Cu
_chemical_formula_sum   'K1 Y2 Cu1'
_cell_volume   125.9
_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  0.87  0.0  0.8  1.0
  Y  Y2  1  0.99  0.0  0.13  1.0
  Y  Y3  1  0.07  0.0  0.81  1.0
  Cu  Cu0  1  0.45  0.0  0.12  1.0

data_KY2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.77
_cell_length_c   6.91
_cell_angle_alpha   113.89
_cell_angle_beta   105.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Cu
_chemical_formula_sum   'K1 Y2 Cu1'
_cell_volume   125.9
_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  0.8  0.87  1.0
  Y  Y1  1  0.0  0.13  0.99  1.0
  Y  Y2  1  0.0  0.81  0.07  1.0
  Cu  Cu3  1  0.0  0.12  0.45  1.0

K Y Y Cu
K Y Y Cu 0 2 + o o 0 1 o o + 2 3 o o + 
KY2Cu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one KY2Cu cluster. K(1) is bonded in a distorted L-shaped geometry to one Y(1) and one Y(2) atom. The K(1)-Y(1) bond length is 1.70 Å. The K(1)-Y(2) bond length is 1.42 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one K(1) atom. In the second Y site, Y(2) is bonded in a 1-coordinate geometry to one K(1) and one Cu(1) atom. The Y(2)-Cu(1) bond length is 2.50 Å. Cu(1) is bonded in a 1-coordinate geometry to one Y(2) atom.