data_ZnCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   4.42
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdRu2
_chemical_formula_sum   'Zn1 Cd1 Ru2'
_cell_volume   62.47
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.98  0.0  0.54  1.0
  Ru  Ru1  1  0.92  0.21  0.95  1.0
  Ru  Ru2  1  0.04  0.21  0.13  1.0

data_ZnCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.42
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   99.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdRu2
_chemical_formula_sum   'Zn1 Cd1 Ru2'
_cell_volume   62.47
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.98  0.0  0.54  1.0
  Ru  Ru2  1  0.04  0.21  0.13  1.0
  Ru  Ru3  1  0.92  0.21  0.95  1.0

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