data_[Rb12Na6Hf6Br36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7973]
_cell_length_b [7.7973]
_cell_length_c [40.8134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Rb2NaHfBr6]
_chemical_formula_sum '[Rb12 Na6 Hf6 Br36]'
_cell_volume [2148.9111]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1318  1
  Rb  Rb1  6  0.0000  0.0000  0.3008  1
  Na  Na2  6  0.0000  0.0000  0.4148  1
  Hf  Hf3  3  -0.0000  -0.0000  0.5000  1
  Hf  Hf4  3  0.0000  0.0000  0.0000  1
  Br  Br5  18  0.0053  0.5027  0.1291  1
  Br  Br6  18  0.0107  0.5053  0.7048  1
]