data_[Na2Mg2Tl2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [5.0342]
_cell_length_b [5.0342]
_cell_length_c [10.0517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaMgTlF6]
_chemical_formula_sum '[Na2 Mg2 Tl2 F12]'
_cell_volume [254.7400]
_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
[
  Na  Na0  2  0.0000  0.0000  0.9997  1.0
  Mg  Mg1  2  0.0000  0.0000  0.6674  1.0
  Tl  Tl2  2  0.0000  0.0000  0.3322  1.0
  F  F3  4  0.1820  0.8180  0.5110  1.0
  F  F4  4  0.1919  0.8081  0.8155  1.0
  F  F5  4  0.2145  0.7855  0.1738  1.0
]