data_[Rb18Fe12F54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [10.6641]
_cell_length_b [10.6641]
_cell_length_c [14.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Rb3Fe2F9]
_chemical_formula_sum '[Rb18 Fe12 F54]'
_cell_volume [1444.4704]
_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  18  0.0000  0.3418  0.2500  1
  Fe  Fe1  12  0.0000  0.0000  0.1507  1
  F  F2  36  0.0030  0.1599  0.4067  1
  F  F3  18  0.0000  0.1387  0.7500  1
]