data_[K4Fe2H24S4O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9997]
_cell_length_b [11.9899]
_cell_length_c [8.8356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K2FeH12(SO7)2]
_chemical_formula_sum '[K4 Fe2 H24 S4 O28]'
_cell_volume [616.1059]
_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
[
  K  K0  4  0.3460  0.6595  0.1358  1
  Fe  Fe1  2  0.0000  0.0000  0.0000  1
  H  H2  4  0.0048  0.6949  0.3542  1
  H  H3  4  0.0693  0.1021  0.2776  1
  H  H4  4  0.0907  0.6296  0.7551  1
  H  H5  4  0.3285  0.5912  0.7210  1
  H  H6  4  0.3450  0.1498  0.0342  1
  H  H7  4  0.3552  0.0592  0.9036  1
  S  S8  4  0.2768  0.1315  0.5882  1
  O  O9  4  0.0434  0.6188  0.3241  1
  O  O10  4  0.0473  0.1705  0.6049  1
  O  O11  4  0.1725  0.6204  0.6708  1
  O  O12  4  0.2516  0.0695  0.4402  1
  O  O13  4  0.3147  0.0696  0.0053  1
  O  O14  4  0.3850  0.0565  0.7204  1
  O  O15  4  0.4323  0.2291  0.5920  1
]