data_[Fe4H8F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  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 [10.7451]
_cell_length_b [9.1480]
_cell_length_c [4.8774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1270]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [FeH2F6]
_chemical_formula_sum '[Fe4 H8 F24]'
_cell_volume [475.7314]
_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
[
  Fe  Fe0  4  0.0000  0.0998  0.2500  1
  H  H1  8  0.1358  0.4853  0.8436  1
  F  F2  8  0.0972  0.0537  0.6205  1
  F  F3  8  0.1038  0.2309  0.1511  1
  F  F4  8  0.1349  0.4451  0.6600  1
]