data_[Li9Fe9F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Fe  1.8300  1.4000  0.8525
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [12.2967]
_cell_length_b [12.2967]
_cell_length_c [5.9326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiFeF4]
_chemical_formula_sum '[Li9 Fe9 F36]'
_cell_volume [776.8782]
_cell_formula_units_Z [9]
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  9  0.0925  0.1850  0.2012  1.0
  Fe  Fe1  9  0.1721  0.8279  0.7425  1.0
  F  F2  18  0.0217  0.2518  0.9395  1.0
  F  F3  9  0.0872  0.5436  0.1564  1.0
  F  F4  9  0.1690  0.0845  0.2415  1.0
]