data_Na2CdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   6.01
_cell_angle_alpha   94.32
_cell_angle_beta   94.32
_cell_angle_gamma   30.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdRu
_chemical_formula_sum   'Na2 Cd1 Ru1'
_cell_volume   81.95
_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
  Na  Na1  1  0.58  0.0  0.99  1.0
  Na  Na2  1  0.08  0.0  0.44  1.0
  Cd  Cd0  1  0.44  0.0  0.72  1.0
  Ru  Ru3  1  0.72  0.0  0.83  1.0

data_Na2CdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.18
_cell_length_c   6.01
_cell_angle_alpha   94.32
_cell_angle_beta   90.0
_cell_angle_gamma   105.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdRu
_chemical_formula_sum   'Na2 Cd1 Ru1'
_cell_volume   81.95
_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
  Na  Na0  1  0.0  0.42  0.01  1.0
  Na  Na1  1  0.0  0.92  0.56  1.0
  Cd  Cd2  1  0.0  0.56  0.28  1.0
  Ru  Ru3  1  0.0  0.28  0.17  1.0

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