data_[Cs4O4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1637]
_cell_length_b [4.4053]
_cell_length_c [6.1913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsOF3]
_chemical_formula_sum '[Cs4 O4 F12]'
_cell_volume [403.6307]
_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  0.1495  0.5000  0.1914  1
  O  O1  4  0.1381  0.0000  0.7238  1
  F  F2  4  0.0406  0.0000  0.9110  1
  F  F3  4  0.0890  0.0000  0.5068  1
  F  F4  4  0.2054  0.5000  0.7426  1
]