data_[Li6P6F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.2496]
_cell_length_b [3.2496]
_cell_length_c [30.5835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiPF]
_chemical_formula_sum '[Li6 P6 F6]'
_cell_volume [279.6851]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.5242  1.0
  Li  Li1  3  0.0000  0.0000  0.7934  1.0
  P  P2  3  0.0000  0.0000  0.0086  1.0
  P  P3  3  0.0000  0.0000  0.6347  1.0
  F  F4  3  0.0000  0.0000  0.4570  1.0
  F  F5  3  0.0000  0.0000  0.8600  1.0
]