data_Cd2RuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RuRh
_chemical_formula_sum   'Cd2 Ru1 Rh1'
_cell_volume   67.92
_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  0.52  0.0  0.36  1.0
  Cd  Cd1  1  0.52  0.0  0.97  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.67  1.0

data_Cd2RuRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RuRh
_chemical_formula_sum   'Cd2 Ru1 Rh1'
_cell_volume   67.92
_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  0.52  0.0  0.36  1.0
  Cd  Cd1  1  0.52  0.0  0.97  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.67  1.0

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