data_[Ba3Li12Zn9F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [R32]
_cell_length_a [11.0958]
_cell_length_b [11.0958]
_cell_length_c [7.6185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [BaLi4Zn3F12]
_chemical_formula_sum '[Ba3 Li12 Zn9 F36]'
_cell_volume [812.3137]
_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
[
  Ba  Ba0  3  0.0000  0.0000  0.0000  1.0
  Li  Li1  9  0.0000  0.4321  0.5000  1.0
  Li  Li2  3  0.0000  0.0000  0.5000  1.0
  Zn  Zn3  9  0.0000  0.5662  0.0000  1.0
  F  F4  18  0.0587  0.2260  0.1827  1.0
  F  F5  9  0.0000  0.5942  0.5000  1.0
  F  F6  9  0.0000  0.8366  0.5000  1.0
]