data_[Rb8Hf12I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [11.9598]
_cell_length_b [19.7188]
_cell_length_c [11.3429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2057]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2(HfI3)3]
_chemical_formula_sum '[Rb8 Hf12 I36]'
_cell_volume [2420.3467]
_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
[
  Rb  Rb0  8  0.1068  0.3370  0.8292  1
  Hf  Hf1  8  0.1260  0.0834  0.6321  1
  Hf  Hf2  4  0.1256  0.0000  0.3682  1
  I  I3  8  0.0166  0.1020  0.8141  1
  I  I4  8  0.1986  0.3040  0.1808  1
  I  I5  8  0.2011  0.3964  0.4844  1
  I  I6  4  0.0000  0.2053  0.5000  1
  I  I7  4  0.1868  0.5000  0.1737  1
  I  I8  4  0.2258  0.5000  0.7902  1
]