data_[Na18Sn3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0587]
_cell_length_b [10.0587]
_cell_length_c [9.5082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6SnF12]
_chemical_formula_sum '[Na18 Sn3 F36]'
_cell_volume [833.1365]
_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  18  0.0557  0.7989  0.6472  1.0
  Sn  Sn1  3  0.0000  0.0000  0.0000  1.0
  F  F2  18  0.0490  0.8618  0.8868  1.0
  F  F3  18  0.0533  0.8163  0.3991  1.0
]