data_CdRu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   137.61
_cell_angle_beta   137.61
_cell_angle_gamma   61.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRu2Cl
_chemical_formula_sum   'Cd1 Ru2 Cl1'
_cell_volume   71.12
_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  0.65  1.0
  Ru  Ru2  1  0.96  0.0  0.32  1.0
  Ru  Ru3  1  0.0  0.96  0.32  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_CdRu2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   120.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdRu2Cl
_chemical_formula_sum   'Cd2 Ru4 Cl2'
_cell_volume   142.23
_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  0.65  1.0
  Ru  Ru1  4  0.02  0.02  0.37  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

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