data_[Tl1Ag1Te1F6]
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
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0004]
_cell_length_b [6.4218]
_cell_length_c [6.5016]
_cell_angle_alpha [60.6708]
_cell_angle_beta [89.8220]
_cell_angle_gamma [89.7794]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TlAgTeF6]
_chemical_formula_sum '[Tl1 Ag1 Te1 F6]'
_cell_volume [182.0130]
_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  0.0302  0.9962  0.0055  1.0
  Ag  Ag1  1  0.5397  0.3342  0.3348  1.0
  Te  Te2  1  0.5364  0.6675  0.6665  1.0
  F  F3  1  0.2796  0.4516  0.9071  1.0
  F  F4  1  0.2817  0.9202  0.6346  1.0
  F  F5  1  0.2909  0.6333  0.4446  1.0
  F  F6  1  0.6765  0.6814  0.9802  1.0
  F  F7  1  0.6812  0.9815  0.3345  1.0
  F  F8  1  0.6836  0.3341  0.6920  1.0
]