data_[Sb4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [7.6285]
_cell_length_b [13.3568]
_cell_length_c [11.7024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbI4]
_chemical_formula_sum '[Sb4 I16]'
_cell_volume [1192.0490]
_cell_formula_units_Z [4]
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
[
  Sb  Sb0  4  0.0000  0.3298  0.5000  1
  I  I1  8  0.1801  0.1774  0.6528  1
  I  I2  4  0.1038  0.0000  0.0977  1
  I  I3  4  0.1484  0.5000  0.6542  1
]