data_[Cs6Tl9Ag3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4479]
_cell_length_b [8.4479]
_cell_length_c [18.7691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Tl3AgF12]
_chemical_formula_sum '[Cs6 Tl9 Ag3 F36]'
_cell_volume [1160.0418]
_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  6  0.0000  0.0000  0.3764  1.0
  Tl  Tl1  9  0.0000  0.5000  0.5000  1.0
  Ag  Ag2  3  0.0000  0.0000  0.0000  1.0
  F  F3  18  0.0196  0.5098  0.6125  1.0
  F  F4  18  0.0641  0.5321  0.8438  1.0
]