data_[K1Hf1Tl2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.6320]
_cell_length_b [7.4685]
_cell_length_c [5.9513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9593]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KHfTl2F8]
_chemical_formula_sum '[K1 Hf1 Tl2 F8]'
_cell_volume [250.2930]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.5000  0.2392  0.5000  1.0
  F  F3  4  0.1587  0.1946  0.1838  1.0
  F  F4  2  0.2722  0.0000  0.7859  1.0
  F  F5  2  0.3383  0.5000  0.6756  1.0
]