data_[Hf2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4919]
_cell_length_b [6.7961]
_cell_length_c [4.8818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf(SO4)2]
_chemical_formula_sum '[Hf2 S4 O16]'
_cell_volume [342.7203]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1.0
  S  S1  4  0.1864  0.0000  0.6667  1.0
  O  O2  8  0.1215  0.1731  0.7882  1.0
  O  O3  4  0.1379  0.0000  0.3556  1.0
  O  O4  4  0.1759  0.5000  0.2722  1.0
]