data_[K1Zr1Tl2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  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 [5.5406]
_cell_length_b [7.5374]
_cell_length_c [6.0100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KZrTl2F8]
_chemical_formula_sum '[K1 Zr1 Tl2 F8]'
_cell_volume [250.9759]
_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
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.5000  0.2425  0.5000  1.0
  F  F3  4  0.1581  0.1966  0.1860  1.0
  F  F4  2  0.2840  0.0000  0.7864  1.0
  F  F5  2  0.3406  0.5000  0.6793  1.0
]