# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71223726
_cell_length_b   6.71223726
_cell_length_c   6.60932028
_cell_angle_alpha   72.41240755
_cell_angle_beta   72.41240755
_cell_angle_gamma   33.98098353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li2 Fe2 F8'
_cell_volume   157.90733604
_cell_formula_units_Z   2
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  0.80776300  0.80776300  0.79987200  1
  Li  Li1  1  0.19223700  0.19223700  0.20012800  1
  Fe  Fe2  1  0.89103400  0.89103400  0.20659700  1
  Fe  Fe3  1  0.10896600  0.10896600  0.79340300  1
  F  F4  1  0.94688800  0.94688800  0.87268500  1
  F  F5  1  0.85843200  0.85843200  0.49866900  1
  F  F6  1  0.25018500  0.25018500  0.84267200  1
  F  F7  1  0.38201000  0.38201000  0.19141000  1
  F  F8  1  0.61799000  0.61799000  0.80859000  1
  F  F9  1  0.74981500  0.74981500  0.15732800  1
  F  F10  1  0.14156800  0.14156800  0.50133100  1
  F  F11  1  0.05311200  0.05311200  0.12731500  1
