data_[La24Al8I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4_132]
_cell_length_a [12.8877]
_cell_length_b [12.8877]
_cell_length_c [12.8877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [214]
_chemical_formula_structural [La3AlI3]
_chemical_formula_sum '[La24 Al8 I24]'
_cell_volume [2140.5755]
_cell_formula_units_Z [8]
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  24  0.1144  0.3644  0.1250  1
  Al  Al1  8  0.1250  0.1250  0.1250  1
  I  I2  24  0.1180  0.1320  0.6250  1
]