data_[Li2Tl4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1865]
_cell_length_b [6.8968]
_cell_length_c [4.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiTl2F8]
_chemical_formula_sum '[Li2 Tl4 F16]'
_cell_volume [327.5422]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1920  0.5000  0.9962  1.0
  F  F2  8  0.1345  0.1892  0.9863  1.0
  F  F3  4  0.0015  0.5000  0.2609  1.0
  F  F4  4  0.2409  0.5000  0.5009  1.0
]