data_CdRu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   7.42
_cell_length_c   7.42
_cell_angle_alpha   21.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRu5
_chemical_formula_sum   'Cd1 Ru5'
_cell_volume   88.92
_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  0.2  0.0  0.55  1.0
  Ru  Ru1  1  0.0  0.0  0.24  1.0
  Ru  Ru2  1  0.2  0.0  0.74  1.0
  Ru  Ru3  1  0.0  0.0  0.21  1.0
  Ru  Ru4  1  0.2  0.0  0.82  1.0
  Ru  Ru5  1  0.0  0.0  0.87  1.0

data_CdRu5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.41
_cell_length_c   7.42
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRu5
_chemical_formula_sum   'Cd1 Ru5'
_cell_volume   88.92
_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  0.45  0.2  0.45  1.0
  Ru  Ru1  1  0.13  0.0  0.13  1.0
  Ru  Ru2  1  0.18  0.2  0.18  1.0
  Ru  Ru3  1  0.26  0.2  0.26  1.0
  Ru  Ru4  1  0.76  0.0  0.76  1.0
  Ru  Ru5  1  0.79  0.0  0.79  1.0

Cd Ru Ru Ru Ru Ru
Cd Ru Ru Ru Ru Ru 0 2 o o o 1 3 o o o 2 4 o o o 4 5 o o o 