data_[Ba6Hf4S4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [I4/mmm]
_cell_length_a [4.2828]
_cell_length_b [4.2828]
_cell_length_c [24.3885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba3Hf2S2O5]
_chemical_formula_sum '[Ba6 Hf4 S4 O10]'
_cell_volume [447.3416]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.1736  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Hf  Hf2  4  0.0000  0.0000  0.4156  1
  S  S3  4  0.0000  0.0000  0.3078  1
  O  O4  8  0.0000  0.5000  0.0841  1
  O  O5  2  0.0000  0.0000  0.5000  1
]