data_Cd2BiRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   3.37
_cell_angle_alpha   104.61
_cell_angle_beta   104.61
_cell_angle_gamma   124.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiRu
_chemical_formula_sum   'Cd2 Bi1 Ru1'
_cell_volume   87.05
_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  0.42  0.29  0.0  1.0
  Cd  Cd2  1  0.42  0.71  0.0  1.0
  Bi  Bi0  1  0.84  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

data_Cd2BiRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.78
_cell_length_c   6.11
_cell_angle_alpha   112.0
_cell_angle_beta   104.61
_cell_angle_gamma   93.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiRu
_chemical_formula_sum   'Cd2 Bi1 Ru1'
_cell_volume   87.05
_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  0.29  0.29  0.71  1.0
  Cd  Cd1  1  0.71  0.71  0.13  1.0
  Bi  Bi2  1  0.0  0.0  0.84  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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