data_KCdAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.85
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   102.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdAg2
_chemical_formula_sum   'K1 Cd1 Ag2'
_cell_volume   102.79
_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  K3  1  0.43  0.0  0.23  1.0
  Cd  Cd2  1  0.1  0.42  0.96  1.0
  Ag  Ag0  1  0.28  0.42  0.4  1.0
  Ag  Ag1  1  0.08  0.0  0.72  1.0

data_KCdAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.85
_cell_length_c   7.04
_cell_angle_alpha   90.0
_cell_angle_beta   102.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdAg2
_chemical_formula_sum   'K1 Cd1 Ag2'
_cell_volume   102.79
_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  0.43  0.0  0.23  1.0
  Cd  Cd1  1  0.1  0.42  0.96  1.0
  Ag  Ag2  1  0.08  0.0  0.72  1.0
  Ag  Ag3  1  0.28  0.42  0.4  1.0

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