# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04873000
_cell_length_b   5.32897300
_cell_length_c   8.09265400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li4 Fe4 F12'
_cell_volume   217.72918063
_cell_formula_units_Z   4
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  0.00000000  0.50000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.50000000  0.00000000  0.50000000  1
  Li  Li3  1  0.50000000  0.00000000  0.00000000  1
  Fe  Fe4  1  0.04069900  0.92558500  0.75000000  1
  Fe  Fe5  1  0.45930100  0.42558500  0.75000000  1
  Fe  Fe6  1  0.54069900  0.57441500  0.25000000  1
  Fe  Fe7  1  0.95930100  0.07441500  0.25000000  1
  F  F8  1  0.16724200  0.42510100  0.25000000  1
  F  F9  1  0.20366300  0.20320900  0.58982500  1
  F  F10  1  0.20366300  0.20320900  0.91017500  1
  F  F11  1  0.29633700  0.70320900  0.91017500  1
  F  F12  1  0.29633700  0.70320900  0.58982500  1
  F  F13  1  0.33275800  0.92510100  0.25000000  1
  F  F14  1  0.66724200  0.07489900  0.75000000  1
  F  F15  1  0.70366300  0.29679100  0.08982500  1
  F  F16  1  0.70366300  0.29679100  0.41017500  1
  F  F17  1  0.79633700  0.79679100  0.08982500  1
  F  F18  1  0.79633700  0.79679100  0.41017500  1
  F  F19  1  0.83275800  0.57489900  0.75000000  1
