data_[Rb3Hf1F6]
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 [P1]
_cell_length_a [6.7060]
_cell_length_b [6.7085]
_cell_length_c [6.7361]
_cell_angle_alpha [119.1167]
_cell_angle_beta [90.5027]
_cell_angle_gamma [119.6809]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb3HfF6]
_chemical_formula_sum '[Rb3 Hf1 F6]'
_cell_volume [217.2032]
_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
[
  Rb  Rb0  1  0.2584  0.5186  0.7549  1.0
  Rb  Rb1  1  0.5095  0.0047  0.4996  1.0
  Rb  Rb2  1  0.7453  0.4840  0.2362  1.0
  Hf  Hf3  1  0.9981  0.0034  0.9818  1.0
  F  F4  1  0.1188  0.8324  0.7066  1.0
  F  F5  1  0.2554  0.0118  0.1681  1.0
  F  F6  1  0.2718  0.4190  0.1491  1.0
  F  F7  1  0.7047  0.9935  0.8639  1.0
  F  F8  1  0.7369  0.5933  0.8502  1.0
  F  F9  1  0.9012  0.1393  0.2896  1.0
]