data_Cd2RuCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RuCl
_chemical_formula_sum   'Cd2 Ru1 Cl1'
_cell_volume   81.55
_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
  Cd  Cd0  1  0.0  0.0  0.21  1.0
  Cd  Cd1  1  0.54  0.54  0.04  1.0
  Ru  Ru3  1  0.54  0.54  0.35  1.0
  Cl  Cl2  1  0.0  0.0  0.76  1.0

data_Cd2RuCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   8.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2RuCl
_chemical_formula_sum   'Cd4 Ru2 Cl2'
_cell_volume   163.1
_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
  Cd  Cd0  2  0.0  0.0  0.21  1.0
  Cd  Cd1  2  0.04  0.5  0.04  1.0
  Ru  Ru2  2  0.04  0.5  0.35  1.0
  Cl  Cl3  2  0.0  0.0  0.76  1.0

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