data_K2AgRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.26
_cell_angle_alpha   157.39
_cell_angle_beta   131.0
_cell_angle_gamma   54.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AgRu
_chemical_formula_sum   'K2 Ag1 Ru1'
_cell_volume   110.63
_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  0.63  1.0
  K  K2  1  0.42  0.0  0.55  1.0
  Ag  Ag0  1  0.0  0.01  0.75  1.0
  Ru  Ru3  1  0.0  0.0  0.87  1.0

data_K2AgRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   6.02
_cell_length_c   7.26
_cell_angle_alpha   114.5
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AgRu
_chemical_formula_sum   'K2 Ag1 Ru1'
_cell_volume   110.63
_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  0.55  0.12  1.0
  K  K1  1  0.0  0.63  0.63  1.0
  Ag  Ag2  1  0.99  0.74  0.74  1.0
  Ru  Ru3  1  0.0  0.87  0.87  1.0

K K Ag Ru
K K Ag Ru 0 2 o o o 0 1 o o o 1 1 o + + 1 3 + o o 1 2 + o o 2 3 o o o 