data_Sc5Cd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.77
_cell_length_b   8.77
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Cd3
_chemical_formula_sum   'Sc10 Cd6'
_cell_volume   368.37
_cell_formula_units_Z   2
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  Sc6  1  0.99  0.75  0.15  1.0
  Sc  Sc7  1  0.63  0.84  0.38  1.0
  Sc  Sc8  1  0.02  0.0  0.15  1.0
  Sc  Sc9  1  0.01  0.75  0.38  1.0
  Sc  Sc10  1  0.0  0.06  0.77  1.0
  Sc  Sc11  1  0.0  0.06  0.0  1.0
  Sc  Sc12  1  0.38  0.53  0.77  1.0
  Sc  Sc13  1  0.38  0.53  0.0  1.0
  Sc  Sc14  1  0.75  0.0  0.38  1.0
  Sc  Sc15  1  0.37  0.84  0.15  1.0
  Cd  Cd0  1  0.24  0.05  0.38  1.0
  Cd  Cd1  1  0.38  0.55  0.15  1.0
  Cd  Cd2  1  0.52  0.0  0.38  1.0
  Cd  Cd3  1  0.76  0.05  0.15  1.0
  Cd  Cd4  1  0.25  0.0  0.15  1.0
  Cd  Cd5  1  0.62  0.55  0.38  1.0

data_Sc5Cd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.53
_cell_length_b   8.77
_cell_length_c   8.77
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5Cd3
_chemical_formula_sum   'Sc10 Cd6'
_cell_volume   368.37
_cell_formula_units_Z   2
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  0.38  0.53  1.0
  Sc  Sc1  1  -0.0  0.0  0.06  1.0
  Sc  Sc2  1  0.15  0.02  0.0  1.0
  Sc  Sc3  1  0.15  0.37  0.84  1.0
  Sc  Sc4  1  0.15  0.99  0.75  1.0
  Sc  Sc5  1  0.38  0.01  0.75  1.0
  Sc  Sc6  1  0.38  0.63  0.84  1.0
  Sc  Sc7  1  0.38  0.75  0.0  1.0
  Sc  Sc8  1  0.77  0.0  0.06  1.0
  Sc  Sc9  1  0.77  0.38  0.53  1.0
  Cd  Cd10  1  0.15  0.25  0.0  1.0
  Cd  Cd11  1  0.15  0.38  0.55  1.0
  Cd  Cd12  1  0.15  0.76  0.05  1.0
  Cd  Cd13  1  0.38  0.24  0.05  1.0
  Cd  Cd14  1  0.38  0.52  0.0  1.0
  Cd  Cd15  1  0.38  0.62  0.55  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Sc Sc Cd Cd Cd Cd Cd Cd