data_[Sr4Hf6O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9506]
_cell_length_b [6.5397]
_cell_length_c [5.4795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Hf3O8]
_chemical_formula_sum '[Sr4 Hf6 O16]'
_cell_volume [400.6523]
_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  4  0.2200  0.5000  0.6598  1
  Hf  Hf1  4  0.0000  0.2625  0.0000  1
  Hf  Hf2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.1024  0.2168  0.3909  1
  O  O4  4  0.0958  0.0000  0.9063  1
  O  O5  4  0.1023  0.5000  0.9544  1
]