data_[Sc16Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [4.5463]
_cell_length_b [4.5463]
_cell_length_c [26.6337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Sc2Cd]
_chemical_formula_sum '[Sc16 Cd8]'
_cell_volume [550.4890]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.2515  1.0
  Sc  Sc1  8  0.0000  0.0000  0.4155  1.0
  Cd  Cd2  8  0.0000  0.0000  0.0828  1.0
]