data_KCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCdRu2
_chemical_formula_sum   'K1 Cd1 Ru2'
_cell_volume   94.04
_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  0.0  1.0
  Cd  Cd0  1  0.0  0.0  0.6  1.0
  Ru  Ru2  1  0.81  0.81  0.79  1.0
  Ru  Ru3  1  0.81  0.81  0.4  1.0

data_KCdRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KCdRu2
_chemical_formula_sum   'K2 Cd2 Ru4'
_cell_volume   188.08
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.6  1.0
  Ru  Ru2  2  0.31  0.5  0.4  1.0
  Ru  Ru3  2  0.31  0.5  0.79  1.0

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