data_[K6Rb4Tl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [C2/m]
_cell_length_a [17.2173]
_cell_length_b [3.9409]
_cell_length_c [7.9188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Rb2TlF6]
_chemical_formula_sum '[K6 Rb4 Tl2 F12]'
_cell_volume [522.5696]
_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
[
  K  K0  4  0.1659  0.0000  0.8333  1.0
  Rb  Rb1  4  0.1665  0.0000  0.3323  1.0
  K  K2  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  F  F4  4  0.0031  0.0000  0.7429  1.0
  F  F5  4  0.1635  0.5000  0.5906  1.0
  F  F6  4  0.1688  0.5000  0.0747  1.0
]