data_KCuAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.61
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   101.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuAg2
_chemical_formula_sum   'K1 Cu1 Ag2'
_cell_volume   93.1
_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  0.72  0.0  0.12  1.0
  Cu  Cu2  1  0.03  0.31  0.88  1.0
  Ag  Ag0  1  0.78  0.31  0.55  1.0
  Ag  Ag1  1  0.67  0.0  0.8  1.0

data_KCuAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.61
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   101.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuAg2
_chemical_formula_sum   'K1 Cu1 Ag2'
_cell_volume   93.1
_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  0.72  0.0  0.12  1.0
  Cu  Cu1  1  0.03  0.31  0.88  1.0
  Ag  Ag2  1  0.67  0.0  0.8  1.0
  Ag  Ag3  1  0.78  0.31  0.55  1.0

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