data_ZnCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.07
_cell_length_b   9.07
_cell_length_c   9.07
_cell_angle_alpha   17.93
_cell_angle_beta   17.93
_cell_angle_gamma   17.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCdRu2
_chemical_formula_sum   'Zn1 Cd1 Ru2'
_cell_volume   61.73
_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  0.0  0.0  0.38  1.0
  Ru  Ru1  1  0.0  0.0  0.83  1.0
  Ru  Ru2  1  0.0  0.0  0.93  1.0

data_ZnCdRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   2.83
_cell_length_c   9.07
_cell_angle_alpha   90.0
_cell_angle_beta   100.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCdRu2
_chemical_formula_sum   'Zn2 Cd2 Ru4'
_cell_volume   123.47
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Cd  Cd1  2  0.0  0.0  0.62  1.0
  Ru  Ru2  2  0.0  0.0  0.07  1.0
  Ru  Ru3  2  0.0  0.0  0.17  1.0

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