# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53956343
_cell_length_b   7.53956343
_cell_length_c   5.02289400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   155.80690851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   117.01248327
_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  0.46858000  0.53142000  0.98562300  1
  Li  Li1  1  0.53142000  0.46858000  0.48562300  1
  Fe  Fe2  1  0.83180200  0.16819800  0.51667900  1
  Fe  Fe3  1  0.16819800  0.83180200  0.01667900  1
  F  F4  1  0.72921200  0.27078800  0.24293300  1
  F  F5  1  0.27078800  0.72921200  0.74293300  1
  F  F6  1  0.93898400  0.06101600  0.76892900  1
  F  F7  1  0.06101600  0.93898400  0.26892900  1
  F  F8  1  0.59713400  0.40286600  0.81671100  1
  F  F9  1  0.40286600  0.59713400  0.31671100  1
