data_[Li1W1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2475]
_cell_length_b [5.2757]
_cell_length_c [5.5563]
_cell_angle_alpha [63.0077]
_cell_angle_beta [61.8997]
_cell_angle_gamma [60.6704]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiWF6]
_chemical_formula_sum '[Li1 W1 F6]'
_cell_volume [113.2058]
_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  1  0.5000  0.5000  0.5000  1.0
  W  W1  1  0.0000  0.0000  0.0000  1.0
  F  F2  2  0.1366  0.3417  0.7618  1.0
  F  F3  2  0.2383  0.8545  0.2461  1.0
  F  F4  2  0.3505  0.7541  0.7540  1.0
]