data_[La8Sn4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8128]
_cell_length_b [4.4713]
_cell_length_c [13.7494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.9884]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2SnI3]
_chemical_formula_sum '[La8 Sn4 I12]'
_cell_volume [1108.2241]
_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  0.0318  0.5000  0.1847  1.0
  La  La1  4  0.2009  0.5000  0.1093  1.0
  Sn  Sn2  4  0.0747  0.0000  0.0259  1.0
  I  I3  4  0.0327  0.0000  0.3511  1.0
  I  I4  4  0.1705  0.5000  0.8443  1.0
  I  I5  4  0.2116  0.5000  0.3413  1.0
]