data_[K6Tl2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cm]
_cell_length_a [9.1735]
_cell_length_b [8.8669]
_cell_length_c [6.7207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.3574]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K3TlF7]
_chemical_formula_sum '[K6 Tl2 F14]'
_cell_volume [416.5718]
_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  0.4988  0.2696  0.4864  1
  K  K1  2  0.4936  0.0000  0.9293  1
  Tl  Tl2  2  0.0514  0.0000  0.0447  1
  F  F3  4  0.1109  0.2480  0.1976  1
  F  F4  4  0.3579  0.3196  0.7347  1
  F  F5  2  0.1764  0.0000  0.8580  1
  F  F6  2  0.3473  0.0000  0.4309  1
  F  F7  2  0.3711  0.5000  0.1497  1
]