data_[Sn2Sb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1961]
_cell_length_b [8.8156]
_cell_length_c [9.4053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(SbI4)2]
_chemical_formula_sum '[Sn2 Sb4 I16]'
_cell_volume [1259.2203]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  4  0.1348  0.0000  0.3623  1.0
  I  I2  8  0.1337  0.2405  0.1532  1.0
  I  I3  4  0.0875  0.0000  0.7014  1.0
  I  I4  4  0.1837  0.5000  0.5791  1.0
]