data_[La12Al2Cd10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.5259]
_cell_length_b [16.6059]
_cell_length_c [7.8365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La6AlCd5]
_chemical_formula_sum '[La12 Al2 Cd10]'
_cell_volume [719.0955]
_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  0.0000  0.1620  0.2427  1
  La  La1  4  0.0000  0.5000  0.2379  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Cd  Cd3  4  0.0000  0.3288  0.0000  1
  Cd  Cd4  4  0.0000  0.3320  0.5000  1
  Cd  Cd5  2  0.0000  0.0000  0.5000  1
]