data_KYCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   5.1
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYCu2
_chemical_formula_sum   'K1 Y1 Cu2'
_cell_volume   92.56
_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  K2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.55  0.65  1.0
  Cu  Cu0  1  0.71  0.55  0.0  1.0
  Cu  Cu1  1  0.71  0.0  0.65  1.0

data_KYCu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.1
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYCu2
_chemical_formula_sum   'K1 Y1 Cu2'
_cell_volume   92.56
_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  0.0  0.55  0.65  1.0
  Cu  Cu2  1  0.71  0.0  0.65  1.0
  Cu  Cu3  1  0.71  0.55  -0.0  1.0

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