data_[Li2La1Al1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  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 [4.5306]
_cell_length_b [4.8039]
_cell_length_c [6.9555]
_cell_angle_alpha [84.7664]
_cell_angle_beta [89.2153]
_cell_angle_gamma [87.7070]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2LaAlF8]
_chemical_formula_sum '[Li2 La1 Al1 F8]'
_cell_volume [150.6227]
_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  0.4715  0.4708  0.1880  1
  La  La1  1  0.0000  0.0000  0.5000  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  F  F3  2  0.1782  0.7888  0.2090  1
  F  F4  2  0.1868  0.8086  0.8117  1
  F  F5  2  0.2847  0.2573  0.9907  1
  F  F6  2  0.3794  0.2837  0.4453  1
]