# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03122629
_cell_length_b   7.03122629
_cell_length_c   7.14595067
_cell_angle_alpha   76.13530380
_cell_angle_beta   76.13530380
_cell_angle_gamma   83.17826352
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li4 Fe4 F16'
_cell_volume   332.28988816
_cell_formula_units_Z   4
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  0.79710600  0.79710600  0.85776200  1
  Li  Li1  1  0.81859400  0.18140600  0.50000000  1
  Li  Li2  1  0.18140600  0.81859400  0.50000000  1
  Li  Li3  1  0.20289400  0.20289400  0.14223800  1
  Fe  Fe4  1  0.73053500  0.73053500  0.40875600  1
  Fe  Fe5  1  0.75291300  0.24708700  0.00000000  1
  Fe  Fe6  1  0.24708700  0.75291300  0.00000000  1
  Fe  Fe7  1  0.26946500  0.26946500  0.59124400  1
  F  F8  1  0.85861900  0.85861900  0.54023900  1
  F  F9  1  0.80629200  0.80629200  0.13553800  1
  F  F10  1  0.50622700  0.79565300  0.88623200  1
  F  F11  1  0.79565300  0.50622700  0.88623200  1
  F  F12  1  0.46803600  0.79828200  0.47441800  1
  F  F13  1  0.79828200  0.46803600  0.47441800  1
  F  F14  1  0.80674400  0.11198400  0.79631300  1
  F  F15  1  0.11198400  0.80674400  0.79631300  1
  F  F16  1  0.88801600  0.19325600  0.20368700  1
  F  F17  1  0.19325600  0.88801600  0.20368700  1
  F  F18  1  0.53196400  0.20171800  0.52558200  1
  F  F19  1  0.20171800  0.53196400  0.52558200  1
  F  F20  1  0.20434700  0.49377300  0.11376800  1
  F  F21  1  0.49377300  0.20434700  0.11376800  1
  F  F22  1  0.19370800  0.19370800  0.86446200  1
  F  F23  1  0.14138100  0.14138100  0.45976100  1
