data_[Cs8Hf4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.1670]
_cell_length_b [10.6453]
_cell_length_c [7.3420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2HfO3]
_chemical_formula_sum '[Cs8 Hf4 O12]'
_cell_volume [462.2624]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0000  0.3385  0.0000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.5000  1
  Hf  Hf3  4  0.0000  0.1664  0.5000  1
  O  O4  8  0.2230  0.2165  0.3301  1
  O  O5  4  0.1257  0.0000  0.6667  1
]