data_K2ZnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.52
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZnRu
_chemical_formula_sum   'K2 Zn1 Ru1'
_cell_volume   122.96
_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  0.92  0.76  0.05  1.0
  K  K1  1  0.76  0.0  0.37  1.0
  Zn  Zn3  1  0.69  0.0  0.48  1.0
  Ru  Ru2  1  0.44  0.76  0.93  1.0

data_K2ZnRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.52
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2ZnRu
_chemical_formula_sum   'K2 Zn1 Ru1'
_cell_volume   122.96
_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  0.76  0.0  0.37  1.0
  K  K1  1  0.92  0.76  0.05  1.0
  Zn  Zn2  1  0.69  0.0  0.48  1.0
  Ru  Ru3  1  0.44  0.76  0.93  1.0

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