data_[Rb4Tl4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.7149]
_cell_length_b [3.7927]
_cell_length_c [6.9161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.6226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbTlF3]
_chemical_formula_sum '[Rb4 Tl4 F12]'
_cell_volume [412.0494]
_cell_formula_units_Z [4]
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  0.2100  0.5000  0.5360  1.0
  Rb  Rb1  2  0.4719  0.0000  0.5743  1.0
  Tl  Tl2  2  0.0916  0.0000  0.0975  1.0
  Tl  Tl3  2  0.3308  0.5000  0.0034  1.0
  F  F4  2  0.0044  0.0000  0.8509  1.0
  F  F5  2  0.0103  0.5000  0.1698  1.0
  F  F6  2  0.0830  0.0000  0.4210  1.0
  F  F7  2  0.1504  0.5000  0.9402  1.0
  F  F8  2  0.2261  0.0000  0.2075  1.0
  F  F9  2  0.3127  0.0000  0.7342  1.0
]