data_[La8Al4Cd8]
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 [C2/m]
_cell_length_a [11.4693]
_cell_length_b [4.8756]
_cell_length_c [10.4413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2AlCd2]
_chemical_formula_sum '[La8 Al4 Cd8]'
_cell_volume [545.9587]
_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
[
  La  La0  4  0.0987  0.0000  0.3804  1
  La  La1  4  0.1771  0.0000  0.0507  1
  Al  Al2  4  0.2286  0.0000  0.7248  1
  Cd  Cd3  4  0.0086  0.5000  0.1464  1
  Cd  Cd4  4  0.1088  0.5000  0.6275  1
]