data_[Sm8I2N2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2110]
_cell_length_b [3.8201]
_cell_length_c [8.5690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4INCl4]
_chemical_formula_sum '[Sm8 I2 N2 Cl8]'
_cell_volume [542.9941]
_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  4  0.0000  0.0000  0.3077  1
  Sm  Sm1  4  0.1446  0.5000  0.5791  1
  I  I2  2  0.0000  0.5000  0.0000  1
  N  N3  2  0.0000  0.5000  0.5000  1
  Cl  Cl4  4  0.1672  0.0000  0.8233  1
  Cl  Cl5  4  0.1706  0.0000  0.3535  1
]