data_[Tl2Ag4F12]
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 [P2_1/c]
_cell_length_a [6.0394]
_cell_length_b [5.4878]
_cell_length_c [11.3606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.2545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TlAg2F6]
_chemical_formula_sum '[Tl2 Ag4 F12]'
_cell_volume [321.8786]
_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
[
  Tl  Tl0  2  0.5000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.1963  0.5388  0.1912  1.0
  F  F2  4  0.1436  0.6792  0.8183  1.0
  F  F3  4  0.2143  0.1977  0.5263  1.0
  F  F4  4  0.4874  0.7452  0.1513  1.0
]