data_[Cs12H4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  H  2.2000  0.2500  0.0000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5951]
_cell_length_b [13.1430]
_cell_length_c [7.5764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5081]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3HF2]
_chemical_formula_sum '[Cs12 H4 F8]'
_cell_volume [712.8821]
_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  0.2413  0.0865  0.5024  1.0
  Cs  Cs1  4  0.2500  0.2500  0.0000  1.0
  H  H2  4  0.0000  0.4176  0.7500  1.0
  F  F3  4  0.0000  0.0839  0.7500  1.0
  F  F4  4  0.0000  0.2515  0.2500  1.0
]