data_[La6Al1Cd2]
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 [P-3m1]
_cell_length_a [5.6089]
_cell_length_b [5.6089]
_cell_length_c [10.6239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La6AlCd2]
_chemical_formula_sum '[La6 Al1 Cd2]'
_cell_volume [289.4507]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.1846  1
  La  La1  2  0.3333  0.6667  0.3935  1
  La  La2  2  0.3333  0.6667  0.0153  1
  Al  Al3  1  0.0000  0.0000  0.5000  1
  Cd  Cd4  2  0.3333  0.6667  0.7076  1
]