data_[K2Tl4F6]
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 [Pmc2_1]
_cell_length_a [3.5996]
_cell_length_b [11.0187]
_cell_length_c [6.9934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [KTl2F3]
_chemical_formula_sum '[K2 Tl4 F6]'
_cell_volume [277.3749]
_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  2  0.0000  0.0919  0.4758  1.0
  Tl  Tl1  2  0.0000  0.2424  0.0041  1.0
  Tl  Tl2  2  0.5000  0.4153  0.5510  1.0
  F  F3  2  0.0000  0.3304  0.3517  1.0
  F  F4  2  0.5000  0.0879  0.1360  1.0
  F  F5  2  0.5000  0.2148  0.6828  1.0
]