# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26450736
_cell_length_b   5.26450736
_cell_length_c   5.58662632
_cell_angle_alpha   62.53720544
_cell_angle_beta   62.53720544
_cell_angle_gamma   59.64166650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   113.16457890
_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  0.20461900  0.69488000  0.40129200  1
  Li  Li1  1  0.69488000  0.20461900  0.90129200  1
  Fe  Fe2  1  0.99079900  0.49068200  0.02739800  1
  Fe  Fe3  1  0.49068200  0.99079900  0.52739800  1
  F  F4  1  0.58526600  0.39526100  0.23256400  1
  F  F5  1  0.28541900  0.07613800  0.24401400  1
  F  F6  1  0.90967900  0.77134300  0.22996500  1
  F  F7  1  0.07613800  0.28541900  0.74401400  1
  F  F8  1  0.77134300  0.90967900  0.72996500  1
  F  F9  1  0.39526100  0.58526600  0.73256400  1
