# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98006800
_cell_length_b   5.67286900
_cell_length_c   10.26738351
_cell_angle_alpha   75.33245017
_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   506.00327497
_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  0.16709100  0.23794500  0.95686500  1
  Li  Li1  1  0.33290900  0.73794500  0.95686500  1
  Li  Li2  1  0.33053700  0.14583000  0.56218100  1
  Li  Li3  1  0.16946300  0.64583000  0.56218100  1
  Li  Li4  1  0.83053700  0.35417000  0.43781900  1
  Li  Li5  1  0.66946300  0.85417000  0.43781900  1
  Li  Li6  1  0.66709100  0.26205500  0.04313500  1
  Li  Li7  1  0.83290900  0.76205500  0.04313500  1
  Fe  Fe8  1  0.03312400  0.06212200  0.74184000  1
  Fe  Fe9  1  0.65487400  0.05969800  0.74244000  1
  Fe  Fe10  1  0.46687600  0.56212200  0.74184000  1
  Fe  Fe11  1  0.84512600  0.55969800  0.74244000  1
  Fe  Fe12  1  0.15487400  0.44030200  0.25756000  1
  Fe  Fe13  1  0.53312400  0.43787800  0.25816000  1
  Fe  Fe14  1  0.34512600  0.94030200  0.25756000  1
  Fe  Fe15  1  0.96687600  0.93787800  0.25816000  1
  F  F16  1  0.18045600  0.95458100  0.89102700  1
  F  F17  1  0.99010200  0.33398700  0.85480200  1
  F  F18  1  0.65719800  0.34483200  0.84822400  1
  F  F19  1  0.31954400  0.45458100  0.89102700  1
  F  F20  1  0.50989800  0.83398700  0.85480200  1
  F  F21  1  0.84280200  0.84483200  0.84822400  1
  F  F22  1  0.48544700  0.28435400  0.64346300  1
  F  F23  1  0.83082000  0.25930900  0.63705800  1
  F  F24  1  0.15672900  0.30223800  0.60314200  1
  F  F25  1  0.01455300  0.78435400  0.64346300  1
  F  F26  1  0.66918000  0.75930900  0.63705800  1
  F  F27  1  0.34327100  0.80223800  0.60314200  1
  F  F28  1  0.65672900  0.19776200  0.39685800  1
  F  F29  1  0.33082000  0.24069100  0.36294200  1
  F  F30  1  0.98544700  0.21564600  0.35653700  1
  F  F31  1  0.84327100  0.69776200  0.39685800  1
  F  F32  1  0.16918000  0.74069100  0.36294200  1
  F  F33  1  0.51455300  0.71564600  0.35653700  1
  F  F34  1  0.15719800  0.15516800  0.15177600  1
  F  F35  1  0.49010200  0.16601300  0.14519800  1
  F  F36  1  0.68045600  0.54541900  0.10897300  1
  F  F37  1  0.34280200  0.65516800  0.15177600  1
  F  F38  1  0.00989800  0.66601300  0.14519800  1
  F  F39  1  0.81954400  0.04541900  0.10897300  1
