data_KRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   11.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRu
_chemical_formula_sum   'K2 Ru2'
_cell_volume   80.22
_cell_formula_units_Z   2
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  0.0  0.75  1.0
  K  K1  1  0.0  0.0  0.0  1.0
  Ru  Ru2  1  0.42  0.82  0.62  1.0
  Ru  Ru3  1  0.0  0.64  0.87  1.0

data_KRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   11.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRu
_chemical_formula_sum   'K2 Ru2'
_cell_volume   80.22
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  K  K1  1  0.0  0.0  0.75  1.0
  Ru  Ru2  1  0.0  0.64  0.87  1.0
  Ru  Ru3  1  0.42  0.82  0.62  1.0

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