data_[Li2Tl2Ag4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.7904]
_cell_length_b [5.9281]
_cell_length_c [10.0289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiTlAg2F6]
_chemical_formula_sum '[Li2 Tl2 Ag4 F12]'
_cell_volume [284.3211]
_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
[
  Li  Li0  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.2695  0.5550  0.7513  1.0
  F  F3  4  0.1512  0.5325  0.2573  1.0
  F  F4  4  0.2699  0.2002  0.0597  1.0
  F  F5  4  0.3569  0.7113  0.0512  1.0
]