data_[La10Sc8Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [12.3864]
_cell_length_b [12.3864]
_cell_length_c [5.0392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [La5(ScCd)4]
_chemical_formula_sum '[La10 Sc8 Cd8]'
_cell_volume [773.1258]
_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
[
  La  La0  8  0.1215  0.8076  0.5000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  8  0.0810  0.4044  0.5000  1
  Cd  Cd3  8  0.0737  0.2555  0.0000  1
]