# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23539600
_cell_length_b   6.30375306
_cell_length_c   6.30477574
_cell_angle_alpha   70.40473938
_cell_angle_beta   89.80160648
_cell_angle_gamma   89.81444461
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li2 Fe2 F6'
_cell_volume   121.13866971
_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  0.49888200  0.00012000  0.99501700  1
  Li  Li1  1  0.49968500  0.49899600  0.50158900  1
  Fe  Fe2  1  0.99758000  0.49767800  0.00070300  1
  Fe  Fe3  1  0.99753100  0.00014600  0.50070500  1
  F  F4  1  0.49845100  0.55325800  0.18663100  1
  F  F5  1  0.49636600  0.81365800  0.44736600  1
  F  F6  1  0.98844400  0.85738200  0.86225500  1
  F  F7  1  0.98869000  0.13728800  0.14216400  1
  F  F8  1  0.49599900  0.43621700  0.81868200  1
  F  F9  1  0.49796000  0.18140200  0.56435600  1
