data_[Cs2V2Fe4I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [11.9329]
_cell_length_b [8.0411]
_cell_length_c [10.9663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0750]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsV(FeI4)2]
_chemical_formula_sum '[Cs2 V2 Fe4 I16]'
_cell_volume [1041.8187]
_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
[
  Cs  Cs0  2  0.0000  0.0000  0.5000  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1146  0.5000  0.8021  1.0
  I  I3  8  0.0231  0.2452  0.1891  1.0
  I  I4  4  0.1796  0.5000  0.5914  1.0
  I  I5  4  0.2345  0.0000  0.0001  1.0
]