data_[Li2La4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.7345]
_cell_length_b [4.0695]
_cell_length_c [5.6399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiLa2F8]
_chemical_formula_sum '[Li2 La4 F16]'
_cell_volume [297.3897]
_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  2  0.0000  0.5000  0.0000  1
  La  La1  4  0.1625  0.0000  0.6688  1
  F  F2  4  0.0183  0.0000  0.2767  1
  F  F3  4  0.0927  0.5000  0.8083  1
  F  F4  4  0.1703  0.5000  0.4064  1
  F  F5  4  0.2190  0.0000  0.1207  1
]