data_[Li2Mg2Tl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8899]
_cell_length_b [4.8899]
_cell_length_c [9.7090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiMgTlF6]
_chemical_formula_sum '[Li2 Mg2 Tl2 F12]'
_cell_volume [232.1525]
_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  0.9996  1.0
  Mg  Mg1  2  0.0000  0.0000  0.6670  1.0
  Tl  Tl2  2  0.0000  0.0000  0.3324  1.0
  F  F3  4  0.1827  0.8173  0.8284  1.0
  F  F4  4  0.1970  0.8030  0.5118  1.0
  F  F5  4  0.2067  0.7933  0.1603  1.0
]