data_[Na2Li2Th2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Th  1.3000  1.8000  1.0800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [5.1764]
_cell_length_b [5.1764]
_cell_length_c [10.2840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaLiThF6]
_chemical_formula_sum '[Na2 Li2 Th2 F12]'
_cell_volume [275.5571]
_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  0.0034  1
  Li  Li1  2  0.0000  0.0000  0.3286  1
  Th  Th2  2  0.0000  0.0000  0.6675  1
  F  F3  4  0.1883  0.8117  0.4951  1
  F  F4  4  0.1924  0.8076  0.1787  1
  F  F5  4  0.2096  0.7904  0.8264  1
]