# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59043393
_cell_length_b   5.59043393
_cell_length_c   5.59043393
_cell_angle_alpha   119.27974742
_cell_angle_beta   119.27974742
_cell_angle_gamma   91.25210787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   124.85667848
_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  0.25000000  0.75000000  0.50000000  1
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.50000000  0.00000000  1
  F  F4  1  0.83918500  0.66081500  0.50000000  1
  F  F5  1  0.66081500  0.16081500  0.82163000  1
  F  F6  1  0.33918500  0.83918500  0.17837000  1
  F  F7  1  0.16081500  0.33918500  0.50000000  1
  F  F8  1  0.25000000  0.25000000  0.00000000  1
  F  F9  1  0.75000000  0.75000000  0.00000000  1
