data_[Sm2Sn2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [17.0295]
_cell_length_b [4.0986]
_cell_length_c [8.3516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7684]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmSnI4]
_chemical_formula_sum '[Sm2 Sn2 I8]'
_cell_volume [537.4948]
_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
[
  Sm  Sm0  2  0.0000  0.5000  0.5000  1
  Sn  Sn1  2  0.0000  0.0000  0.0000  1
  I  I2  4  0.1175  0.0000  0.7770  1
  I  I3  4  0.1275  0.5000  0.3185  1
]