data_[Sc4Cd8]
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 [Pnma]
_cell_length_a [6.1880]
_cell_length_b [4.7035]
_cell_length_c [9.0778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [ScCd2]
_chemical_formula_sum '[Sc4 Cd8]'
_cell_volume [264.2152]
_cell_formula_units_Z [4]
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  4  0.1563  0.2500  0.0844  1.0
  Cd  Cd1  4  0.0710  0.2500  0.7462  1.0
  Cd  Cd2  4  0.1570  0.2500  0.4169  1.0
]