data_[Rb3Tl1Fe2F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1430]
_cell_length_b [6.1430]
_cell_length_c [8.3005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Rb3TlFe2F9]
_chemical_formula_sum '[Rb3 Tl1 Fe2 F9]'
_cell_volume [271.2642]
_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  2  0.3333  0.6667  0.7024  1
  Rb  Rb1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.0000  0.0000  0.5000  1
  Fe  Fe3  2  0.3333  0.6667  0.1436  1
  F  F4  6  0.1787  0.3573  0.2732  1
  F  F5  3  0.0000  0.5000  0.0000  1
]