data_CdBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.06
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiRu2
_chemical_formula_sum   'Cd1 Bi1 Ru2'
_cell_volume   79.99
_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  Cd1  1  0.0  0.0  0.91  1.0
  Bi  Bi0  1  0.53  0.53  0.84  1.0
  Ru  Ru2  1  0.53  0.53  0.28  1.0
  Ru  Ru3  1  0.0  0.0  0.76  1.0

data_CdBiRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   8.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdBiRu2
_chemical_formula_sum   'Cd2 Bi2 Ru4'
_cell_volume   159.98
_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  0.91  1.0
  Bi  Bi1  2  0.03  0.5  0.84  1.0
  Ru  Ru2  2  0.0  0.0  0.76  1.0
  Ru  Ru3  2  0.03  0.5  0.28  1.0

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