# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99072600
_cell_length_b   8.71973800
_cell_length_c   10.58953500
_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   'Li8 Fe8 F24'
_cell_volume   460.83351137
_cell_formula_units_Z   8
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  0.99640600  0.78531000  0.60014400  1
  Li  Li1  1  0.50359400  0.78531000  0.10014400  1
  Li  Li2  1  0.50359400  0.71469000  0.60014400  1
  Li  Li3  1  0.99640600  0.71469000  0.10014400  1
  Li  Li4  1  0.00359400  0.28531000  0.89985600  1
  Li  Li5  1  0.49640600  0.28531000  0.39985600  1
  Li  Li6  1  0.49640600  0.21469000  0.89985600  1
  Li  Li7  1  0.00359400  0.21469000  0.39985600  1
  Fe  Fe8  1  0.99314800  0.91388000  0.86290900  1
  Fe  Fe9  1  0.50685200  0.91388000  0.36290900  1
  Fe  Fe10  1  0.99314800  0.58612000  0.36290900  1
  Fe  Fe11  1  0.50685200  0.58612000  0.86290900  1
  Fe  Fe12  1  0.00685200  0.41388000  0.63709100  1
  Fe  Fe13  1  0.49314800  0.41388000  0.13709100  1
  Fe  Fe14  1  0.00685200  0.08612000  0.13709100  1
  Fe  Fe15  1  0.49314800  0.08612000  0.63709100  1
  F  F16  1  0.22636600  0.91611000  0.69639700  1
  F  F17  1  0.27363400  0.91611000  0.19639700  1
  F  F18  1  0.80372800  0.90478500  0.04428000  1
  F  F19  1  0.69627200  0.90478500  0.54428000  1
  F  F20  1  0.75000000  0.75000000  0.77643300  1
  F  F21  1  0.75000000  0.75000000  0.27643300  1
  F  F22  1  0.25000000  0.75000000  0.95335500  1
  F  F23  1  0.25000000  0.75000000  0.45335500  1
  F  F24  1  0.69627200  0.59521500  0.04428000  1
  F  F25  1  0.80372800  0.59521500  0.54428000  1
  F  F26  1  0.22636600  0.58389000  0.19639700  1
  F  F27  1  0.27363400  0.58389000  0.69639700  1
  F  F28  1  0.77363400  0.41611000  0.80360300  1
  F  F29  1  0.72636600  0.41611000  0.30360300  1
  F  F30  1  0.30372800  0.40478500  0.95572000  1
  F  F31  1  0.19627200  0.40478500  0.45572000  1
  F  F32  1  0.75000000  0.25000000  0.54664500  1
  F  F33  1  0.75000000  0.25000000  0.04664500  1
  F  F34  1  0.25000000  0.25000000  0.72356700  1
  F  F35  1  0.25000000  0.25000000  0.22356700  1
  F  F36  1  0.30372800  0.09521500  0.45572000  1
  F  F37  1  0.19627200  0.09521500  0.95572000  1
  F  F38  1  0.77363400  0.08389000  0.30360300  1
  F  F39  1  0.72636600  0.08389000  0.80360300  1
