data_K2NaRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   5.38
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NaRu
_chemical_formula_sum   'K2 Na1 Ru1'
_cell_volume   131.21
_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  0.58  0.69  0.52  1.0
  K  K1  1  0.58  0.69  0.19  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.86  1.0

data_K2NaRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.38
_cell_length_c   7.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2NaRu
_chemical_formula_sum   'K2 Na1 Ru1'
_cell_volume   131.21
_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  0.58  0.69  0.19  1.0
  K  K1  1  0.58  0.69  0.52  1.0
  Na  Na2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.86  1.0

K K Na Ru
K K Na Ru 0 0 + o o 0 1 o o o 1 2 o + o 1 2 + + o 1 1 + o o 2 3 o o - 