data_Cd3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   149.45
_cell_angle_beta   63.54
_cell_angle_gamma   125.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Ru
_chemical_formula_sum   'Cd3 Ru1'
_cell_volume   75.49
_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  0.0  0.15  0.01  1.0
  Cd  Cd1  1  0.0  0.84  0.78  1.0
  Cd  Cd2  1  0.0  0.53  0.01  1.0
  Ru  Ru3  1  0.0  0.0  0.66  1.0

data_Cd3Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.19
_cell_length_c   5.7
_cell_angle_alpha   117.12
_cell_angle_beta   105.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Ru
_chemical_formula_sum   'Cd3 Ru1'
_cell_volume   75.49
_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  0.01  0.47  0.47  1.0
  Cd  Cd1  1  0.01  0.85  0.85  1.0
  Cd  Cd2  1  0.78  0.94  0.94  1.0
  Ru  Ru3  1  0.66  0.66  0.66  1.0

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