data_[La1Sn1I4]
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 [P2/m]
_cell_length_a [7.8806]
_cell_length_b [4.1532]
_cell_length_c [8.4583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaSnI4]
_chemical_formula_sum '[La1 Sn1 I4]'
_cell_volume [275.2646]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  Sn  Sn1  1  0.0000  0.0000  0.0000  1
  I  I2  2  0.2428  0.0000  0.3301  1
  I  I3  2  0.2548  0.5000  0.8194  1
]