data_Cd2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   5.44
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   93.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SbRu
_chemical_formula_sum   'Cd2 Sb1 Ru1'
_cell_volume   81.52
_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  0.13  0.72  0.59  1.0
  Cd  Cd1  1  0.73  0.72  0.14  1.0
  Sb  Sb3  1  0.43  0.0  0.36  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Cd2SbRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.74
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2SbRu
_chemical_formula_sum   'Cd2 Sb1 Ru1'
_cell_volume   81.52
_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  0.27  0.86  0.28  1.0
  Cd  Cd1  1  0.87  0.41  0.28  1.0
  Sb  Sb2  1  0.57  0.64  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

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