data_[Cs6Hf2O8]
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]
_cell_length_a [11.2697]
_cell_length_b [7.2144]
_cell_length_c [7.0930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cs3HfO4]
_chemical_formula_sum '[Cs6 Hf2 O8]'
_cell_volume [457.0546]
_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
[
  Cs  Cs0  4  0.2489  0.5326  0.2563  1
  Cs  Cs1  2  0.0000  0.0757  0.0000  1
  Hf  Hf2  2  0.0000  0.5038  0.5000  1
  O  O3  4  0.0738  0.3445  0.7764  1
  O  O4  4  0.1621  0.6586  0.5548  1
]