data_ScCdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   4.33
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdRu2
_chemical_formula_sum   'Sc1 Cd1 Ru2'
_cell_volume   67.35
_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
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.64  0.0  0.37  1.0
  Ru  Ru1  1  0.64  0.17  0.0  1.0
  Ru  Ru2  1  0.0  0.17  0.37  1.0

data_ScCdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.33
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdRu2
_chemical_formula_sum   'Sc1 Cd1 Ru2'
_cell_volume   67.35
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.64  0.0  0.37  1.0
  Ru  Ru2  1  0.0  0.17  0.37  1.0
  Ru  Ru3  1  0.64  0.17  -0.0  1.0

Sc Cd Ru Ru