data_[Li18Zn6F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [8.5798]
_cell_length_b [8.5798]
_cell_length_c [10.2684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li3ZnF6]
_chemical_formula_sum '[Li18 Zn6 F36]'
_cell_volume [654.6153]
_cell_formula_units_Z [6]
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
[
  Li  Li0  18  0.0410  0.7767  0.7097  1
  Zn  Zn1  3  0.0000  0.0000  0.0000  1
  Zn  Zn2  3  0.0000  0.0000  0.5000  1
  F  F3  18  0.0217  0.8332  0.3787  1
  F  F4  18  0.0289  0.8215  0.8976  1
]