data_Cd2PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PRu
_chemical_formula_sum   'Cd2 P1 Ru1'
_cell_volume   73.37
_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  0.0  0.34  1.0
  Cd  Cd1  1  0.01  0.0  0.27  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.0  0.0  0.3  1.0

data_Cd2PRu
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.03
_cell_length_b   4.23
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   Cd2PRu
_chemical_formula_sum   'Cd4 P2 Ru2'
_cell_volume   146.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.66  1.0
  Cd  Cd1  2  0.0  0.0  0.73  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.7  1.0

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