# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16643723
_cell_length_b   5.07588953
_cell_length_c   4.83185905
_cell_angle_alpha   89.90787177
_cell_angle_beta   89.96065389
_cell_angle_gamma   120.75205582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   108.89442933
_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  0.99941400  0.00183300  0.43063500  1
  Li  Li1  1  0.99873300  0.99829700  0.93066900  1
  Fe  Fe2  1  0.33411000  0.66809400  0.93241800  1
  Fe  Fe3  1  0.66609900  0.33172300  0.43260500  1
  F  F4  1  0.31649700  0.00098900  0.68153500  1
  F  F5  1  0.00606200  0.32090900  0.68120600  1
  F  F6  1  0.31585500  0.31795200  0.18118500  1
  F  F7  1  0.68470100  0.68147100  0.68245000  1
  F  F8  1  0.99501700  0.67974700  0.18254300  1
  F  F9  1  0.68341400  0.99898500  0.18135300  1
