data_[Sc8Cd4]
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 [C2/m]
_cell_length_a [11.7042]
_cell_length_b [3.2681]
_cell_length_c [7.5297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Cd]
_chemical_formula_sum '[Sc8 Cd4]'
_cell_volume [277.9324]
_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  0.0241  0.5000  0.8077  1
  Sc  Sc1  4  0.1384  0.0000  0.5356  1
  Cd  Cd2  4  0.1969  0.0000  0.1419  1
]