data_[Li6Al2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.9801]
_cell_length_b [5.0978]
_cell_length_c [9.0441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li3AlF6]
_chemical_formula_sum '[Li6 Al2 F12]'
_cell_volume [192.4972]
_cell_formula_units_Z [2]
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  4  0.2737  0.5372  0.2685  1.0
  Li  Li1  2  0.5000  0.0000  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.0917  0.5863  0.7205  1.0
  F  F4  4  0.2492  0.2052  0.5883  1.0
  F  F5  4  0.3568  0.6781  0.5482  1.0
]