data_[La6Sc4Cd4]
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 [Cmmm]
_cell_length_a [5.0900]
_cell_length_b [22.7981]
_cell_length_c [3.5148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La3(ScCd)2]
_chemical_formula_sum '[La6 Sc4 Cd4]'
_cell_volume [407.8706]
_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  4  0.0000  0.1514  0.0000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  Sc  Sc2  4  0.0000  0.2853  0.5000  1
  Cd  Cd3  4  0.0000  0.4259  0.5000  1
]