data_[Cs8V4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [12.0051]
_cell_length_b [12.7267]
_cell_length_c [10.9405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Cs2VI5]
_chemical_formula_sum '[Cs8 V4 I20]'
_cell_volume [1671.5481]
_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
[
  Cs  Cs0  8  0.2500  0.2500  0.2562  1
  V  V1  4  0.0000  0.0000  0.9660  1
  I  I2  8  0.0000  0.2202  0.9903  1
  I  I3  8  0.2112  0.0000  0.0461  1
  I  I4  4  0.0000  0.0000  0.7287  1
]