data_[Li2Al1F6]
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 [P-1]
_cell_length_a [2.9102]
_cell_length_b [4.6699]
_cell_length_c [7.4209]
_cell_angle_alpha [91.2839]
_cell_angle_beta [96.5871]
_cell_angle_gamma [90.4499]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2AlF6]
_chemical_formula_sum '[Li2 Al1 F6]'
_cell_volume [100.1534]
_cell_formula_units_Z [1]
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  2  0.4104  0.5262  0.1966  1
  Al  Al1  1  0.0000  0.0000  0.5000  1
  F  F2  2  0.0531  0.2746  0.6691  1
  F  F3  2  0.1309  0.6758  0.9520  1
  F  F4  2  0.4684  0.1778  0.3837  1
]