data_[Cs1Rb2Hf1I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Hf  1.3000  1.5500  0.8500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0334]
_cell_length_b [11.2086]
_cell_length_c [8.3839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsRb2HfI8]
_chemical_formula_sum '[Cs1 Rb2 Hf1 I8]'
_cell_volume [660.9393]
_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  0.5000  0.0000  1.0
  Rb  Rb1  2  0.5000  0.2168  0.5000  1.0
  Hf  Hf2  1  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.2442  0.1846  0.1172  1.0
  I  I4  2  0.1977  0.0000  0.7024  1.0
  I  I5  2  0.2421  0.5000  0.5067  1.0
]