data_[Li2La1Ni1F8]
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
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5103]
_cell_length_b [4.8495]
_cell_length_c [7.0786]
_cell_angle_alpha [85.0885]
_cell_angle_beta [89.5727]
_cell_angle_gamma [86.8772]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2LaNiF8]
_chemical_formula_sum '[Li2 La1 Ni1 F8]'
_cell_volume [154.0298]
_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  0.4667  0.4658  0.1971  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1794  0.7790  0.2188  1.0
  F  F4  2  0.1848  0.7942  0.8022  1.0
  F  F5  2  0.2962  0.2598  0.9916  1.0
  F  F6  2  0.3800  0.2803  0.4464  1.0
]