data_[La8Sn2I2]
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 [8.1275]
_cell_length_b [5.8686]
_cell_length_c [8.7811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4SnI]
_chemical_formula_sum '[La8 Sn2 I2]'
_cell_volume [418.7322]
_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  0.1425  0.0000  0.1406  1
  La  La1  4  0.1511  0.5000  0.3542  1
  Sn  Sn2  2  0.0000  0.5000  0.0000  1
  I  I3  2  0.0000  0.0000  0.5000  1
]