data_[Na9Li12Th3F36]
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 [R32]
_cell_length_a [11.2612]
_cell_length_b [11.2612]
_cell_length_c [8.4910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Na3Li4ThF12]
_chemical_formula_sum '[Na9 Li12 Th3 F36]'
_cell_volume [932.5132]
_cell_formula_units_Z [3]
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  9  0.0000  0.5732  0.0000  1
  Li  Li1  9  0.0000  0.4322  0.5000  1
  Li  Li2  3  0.0000  0.0000  0.5000  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
  F  F4  18  0.0364  0.1814  0.1543  1
  F  F5  9  0.0000  0.5861  0.5000  1
  F  F6  9  0.0000  0.8430  0.5000  1
]