data_[Cs3La3Tl6F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.9919]
_cell_length_b [6.9919]
_cell_length_c [17.4952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsLaTl2F6]
_chemical_formula_sum '[Cs3 La3 Tl6 F18]'
_cell_volume [740.6848]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.5025  1.0
  La  La1  3  0.0000  0.0000  0.0162  1.0
  Tl  Tl2  3  0.0000  0.0000  0.2329  1.0
  Tl  Tl3  3  0.0000  0.0000  0.7280  1.0
  F  F4  9  0.0608  0.7066  0.6212  1.0
  F  F5  9  0.0910  0.4110  0.7731  1.0
]