# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30426437
_cell_length_b   6.30426437
_cell_length_c   3.23539600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.59525546
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   121.13969387
_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  0.99501700  0.99501700  0.50000000  1
  Li  Li1  1  0.49886500  0.49886500  0.50000000  1
  Fe  Fe2  1  0.49745900  0.00070300  0.00000000  1
  Fe  Fe3  1  0.00070300  0.49745900  0.00000000  1
  F  F4  1  0.44187900  0.18663100  0.50000000  1
  F  F5  1  0.18663100  0.44187900  0.50000000  1
  F  F6  1  0.13775500  0.86225500  0.00000000  1
  F  F7  1  0.86225500  0.13775500  0.00000000  1
  F  F8  1  0.55892000  0.81868200  0.50000000  1
  F  F9  1  0.81868200  0.55892000  0.50000000  1
