data_KCuAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   6.22
_cell_angle_alpha   101.92
_cell_angle_beta   101.92
_cell_angle_gamma   34.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuAg2
_chemical_formula_sum   'K1 Cu1 Ag2'
_cell_volume   99.68
_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  0.5  0.0  0.49  1.0
  Cu  Cu2  1  0.23  0.0  0.44  1.0
  Ag  Ag0  1  0.15  0.0  0.66  1.0
  Ag  Ag1  1  0.45  0.0  0.51  1.0

data_KCuAg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.36
_cell_length_c   6.22
_cell_angle_alpha   101.92
_cell_angle_beta   90.0
_cell_angle_gamma   107.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuAg2
_chemical_formula_sum   'K1 Cu1 Ag2'
_cell_volume   99.68
_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  0.5  0.51  1.0
  Cu  Cu1  1  0.0  0.77  0.56  1.0
  Ag  Ag2  1  0.0  0.55  0.49  1.0
  Ag  Ag3  1  0.0  0.85  0.34  1.0

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