data_[La10Al2I10]
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 [14.0250]
_cell_length_b [6.3911]
_cell_length_c [9.4085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5AlI5]
_chemical_formula_sum '[La10 Al2 I10]'
_cell_volume [796.7603]
_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  4  0.1555  0.0000  0.3036  1
  La  La1  4  0.1714  0.0000  0.8644  1
  La  La2  2  0.0000  0.5000  0.0000  1
  Al  Al3  2  0.0000  0.0000  0.0000  1
  I  I4  4  0.1475  0.5000  0.7973  1
  I  I5  4  0.1663  0.5000  0.3451  1
  I  I6  2  0.0000  0.0000  0.5000  1
]