data_[Cs1Hf1Ta2O8]
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
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9941]
_cell_length_b [5.9941]
_cell_length_c [8.3503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [CsHfTa2O8]
_chemical_formula_sum '[Cs1 Hf1 Ta2 O8]'
_cell_volume [259.8228]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Hf  Hf1  1  0.0000  0.0000  0.5000  1
  Ta  Ta2  2  0.3333  0.6667  0.7152  1
  O  O3  6  0.1613  0.3226  0.6465  1
  O  O4  2  0.3333  0.6667  0.9343  1
]