data_ScCdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   145.03
_cell_angle_beta   145.03
_cell_angle_gamma   50.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdRu
_chemical_formula_sum   'Sc1 Cd1 Ru1'
_cell_volume   55.57
_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  Sc2  1  0.0  0.0  0.92  1.0
  Cd  Cd0  1  0.0  0.0  0.92  1.0
  Ru  Ru1  1  0.0  0.0  0.23  1.0

data_ScCdRu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   115.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScCdRu
_chemical_formula_sum   'Sc2 Cd2 Ru2'
_cell_volume   111.15
_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+1/2, y+1/2, z'
  4  '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
  Sc  Sc0  2  0.0  0.0  0.08  1.0
  Cd  Cd1  2  0.0  0.0  0.08  1.0
  Ru  Ru2  2  0.0  0.0  0.77  1.0

Sc Cd Ru 0 1 o o o 0 2 o o + 1 2 o o + 