data_KY2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Cd
_chemical_formula_sum   'K1 Y2 Cd1'
_cell_volume   131.27
_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
  Y  Y2  1  0.75  0.58  0.82  1.0
  Y  Y3  1  0.75  0.42  0.82  1.0
  Cd  Cd0  1  0.49  0.0  0.0  1.0

data_KY2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   6.23
_cell_length_c   6.23
_cell_angle_alpha   111.84
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KY2Cd
_chemical_formula_sum   'K1 Y2 Cd1'
_cell_volume   131.27
_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
  Y  Y1  1  0.82  0.75  0.42  1.0
  Y  Y2  1  0.82  0.75  0.58  1.0
  Cd  Cd3  1  0.0  0.49  0.0  1.0

K Y Y Cd
K Y Y Cd 0 1 - - - 0 3 - o o 0 3 o o o 1 2 o o o 2 3 o o + 