data_[Cs4Sb8F44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sb  2.0500  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.5777]
_cell_length_b [11.2663]
_cell_length_c [12.2500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [CsSb2F11]
_chemical_formula_sum '[Cs4 Sb8 F44]'
_cell_volume [1183.8259]
_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  4  0.0000  0.5000  0.2500  1
  Sb  Sb1  8  0.0941  0.1744  0.0000  1
  F  F2  16  0.0900  0.2970  0.1083  1
  F  F3  16  0.2188  0.0969  0.1080  1
  F  F4  8  0.1290  0.1900  0.5000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]