data_[Fe6H8O4F16]
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
  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 [7.6488]
_cell_length_b [7.5248]
_cell_length_c [7.4500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe3H4(OF4)2]
_chemical_formula_sum '[Fe6 H8 O4 F16]'
_cell_volume [384.4840]
_cell_formula_units_Z [2]
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  0.2500  0.2500  0.5000  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  H  H2  8  0.2154  0.3951  0.1110  1.0
  O  O3  4  0.2438  0.0000  0.9394  1.0
  F  F4  8  0.1405  0.2054  0.2129  1.0
  F  F5  4  0.0000  0.1953  0.5000  1.0
  F  F6  4  0.1742  0.5000  0.4409  1.0
]