data_[Rb18Fe3F36]
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-3]
_cell_length_a [11.5254]
_cell_length_b [11.5254]
_cell_length_c [10.8880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Rb6FeF12]
_chemical_formula_sum '[Rb18 Fe3 F36]'
_cell_volume [1252.5270]
_cell_formula_units_Z [3]
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  0.0594  0.4905  0.3304  1
  Fe  Fe1  3  0.0000  0.0000  0.0000  1
  F  F2  18  0.0337  0.1570  0.8989  1
  F  F3  18  0.0630  0.4938  0.0602  1
]