data_[Sr2Hf4H4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hf  1.3000  1.5500  0.8500
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0580]
_cell_length_b [4.0580]
_cell_length_c [20.8395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [SrHf2H2O7]
_chemical_formula_sum '[Sr2 Hf4 H4 O14]'
_cell_volume [343.1755]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.0000  1
  Hf  Hf1  4  0.0000  0.0000  0.3926  1
  H  H2  4  0.0000  0.0000  0.2536  1
  O  O3  8  0.0000  0.5000  0.0864  1
  O  O4  4  0.0000  0.0000  0.2999  1
  O  O5  2  0.0000  0.0000  0.5000  1
]