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 [Pnma]
_cell_length_a [6.7072]
_cell_length_b [9.2913]
_cell_length_c [6.6115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbTlF3]
_chemical_formula_sum '[Rb4 Tl4 F12]'
_cell_volume [412.0220]
_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  4  0.0348  0.2500  0.0079  1.0
  Tl  Tl1  4  0.0000  0.0000  0.5000  1.0
  F  F2  8  0.2132  0.5380  0.7878  1.0
  F  F3  4  0.0226  0.7500  0.4312  1.0
]