data_CdBiRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   151.28
_cell_angle_beta   135.65
_cell_angle_gamma   53.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiRu2
_chemical_formula_sum   'Cd1 Bi1 Ru2'
_cell_volume   77.82
_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  0.2  1.0
  Bi  Bi0  1  0.53  0.0  0.12  1.0
  Ru  Ru2  1  0.53  0.0  0.52  1.0
  Ru  Ru3  1  0.0  0.0  0.62  1.0

data_CdBiRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.64
_cell_length_c   6.15
_cell_angle_alpha   112.17
_cell_angle_beta   104.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiRu2
_chemical_formula_sum   'Cd1 Bi1 Ru2'
_cell_volume   77.82
_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  0.8  0.8  0.8  1.0
  Bi  Bi1  1  0.4  0.88  0.4  1.0
  Ru  Ru2  1  0.01  0.48  0.01  1.0
  Ru  Ru3  1  0.38  0.38  0.38  1.0

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