data_[V2Fe4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7411]
_cell_length_b [11.1724]
_cell_length_c [6.6917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6452]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V(FeI4)2]
_chemical_formula_sum '[V2 Fe4 I16]'
_cell_volume [952.1636]
_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
[
  V  V0  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.1873  0.0000  0.6419  1.0
  I  I2  8  0.0888  0.1816  0.7798  1.0
  I  I3  4  0.1234  0.5000  0.2546  1.0
  I  I4  4  0.1832  0.0000  0.2544  1.0
]