data_[Cs8I4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2835]
_cell_length_b [7.3205]
_cell_length_c [10.4446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.1496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2IF7]
_chemical_formula_sum '[Cs8 I4 F28]'
_cell_volume [879.9260]
_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  0.1766  0.4395  0.2629  1
  I  I1  4  0.0000  0.0788  0.7500  1
  F  F2  8  0.0812  0.1417  0.9965  1
  F  F3  8  0.1070  0.1558  0.3875  1
  F  F4  8  0.1480  0.1367  0.7913  1
  F  F5  4  0.0000  0.3585  0.7500  1
]