data_[Na18Zn3F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8824]
_cell_length_b [9.8824]
_cell_length_c [9.4233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Na6ZnF12]
_chemical_formula_sum '[Na18 Zn3 F36]'
_cell_volume [796.9997]
_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  0.0593  0.5840  0.3246  1
  Zn  Zn1  3  0.0000  0.0000  0.0000  1
  F  F2  18  0.0463  0.8570  0.8900  1
  F  F3  18  0.0803  0.8314  0.3962  1
]