data_[La2Al4I16]
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 [C2/m]
_cell_length_a [14.6683]
_cell_length_b [10.8654]
_cell_length_c [7.4149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(AlI4)2]
_chemical_formula_sum '[La2 Al4 I16]'
_cell_volume [1167.3872]
_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  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.1964  0.0000  0.6535  1
  I  I2  8  0.1027  0.1864  0.7623  1
  I  I3  4  0.1350  0.5000  0.2052  1
  I  I4  4  0.1884  0.0000  0.2905  1
]