data_[Rb6Hf2F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.8332]
_cell_length_b [6.8332]
_cell_length_c [9.6648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Rb3HfF8]
_chemical_formula_sum '[Rb6 Hf2 F16]'
_cell_volume [451.2705]
_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
[
  Rb  Rb0  4  0.0000  0.5000  0.2500  1
  Rb  Rb1  2  0.0000  0.0000  0.5000  1
  Hf  Hf2  2  0.0000  0.0000  0.0000  1
  F  F3  8  0.1213  0.1213  0.1853  1
  F  F4  8  0.2092  0.2092  0.9488  1
]