data_[Cs6K2Tl4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1666]
_cell_length_b [12.4085]
_cell_length_c [7.1772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3KTl2F6]
_chemical_formula_sum '[Cs6 K2 Tl4 F12]'
_cell_volume [601.8722]
_cell_formula_units_Z [2]
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  4  0.0000  0.1681  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  K  K2  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  4  0.0000  0.3334  0.0000  1.0
  F  F4  8  0.2386  0.1628  0.2279  1.0
  F  F5  4  0.2480  0.0000  0.7685  1.0
]