data_[Li2La1Ti1F8]
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
  Ti  1.5400  1.4000  0.8517
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3872]
_cell_length_b [4.9499]
_cell_length_c [7.3224]
_cell_angle_alpha [95.0337]
_cell_angle_beta [90.3437]
_cell_angle_gamma [93.9691]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2LaTiF8]
_chemical_formula_sum '[Li2 La1 Ti1 F8]'
_cell_volume [158.0114]
_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  0.4642  0.5379  0.1998  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1676  0.2193  0.7962  1.0
  F  F4  2  0.1739  0.2292  0.2306  1.0
  F  F5  2  0.3133  0.7431  0.9916  1.0
  F  F6  2  0.3993  0.7324  0.4441  1.0
]