data_[Tl1Ag1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2201]
_cell_length_b [5.3680]
_cell_length_c [5.9059]
_cell_angle_alpha [88.9482]
_cell_angle_beta [63.9743]
_cell_angle_gamma [65.2841]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlAgF6]
_chemical_formula_sum '[Tl1 Ag1 F6]'
_cell_volume [132.2950]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.0000  0.5000  0.5000  1.0
  F  F2  2  0.1297  0.5949  0.7409  1.0
  F  F3  2  0.1678  0.7281  0.2695  1.0
  F  F4  2  0.4576  0.9278  0.7719  1.0
]