data_[Li8Fe8F24]
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 [C2/c]
_cell_length_a [10.9898]
_cell_length_b [9.0520]
_cell_length_c [5.7216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.2756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiFeF3]
_chemical_formula_sum '[Li8 Fe8 F24]'
_cell_volume [526.7061]
_cell_formula_units_Z [8]
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  8  0.2060  0.4207  0.6785  1.0
  Fe  Fe1  4  0.0000  0.0948  0.7500  1.0
  Fe  Fe2  4  0.0000  0.2830  0.2500  1.0
  F  F3  8  0.0992  0.2499  0.6415  1.0
  F  F4  8  0.1021  0.0846  0.1662  1.0
  F  F5  8  0.1494  0.4286  0.3243  1.0
]