# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93590500
_cell_length_b   8.98202700
_cell_length_c   9.93698400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF4
_chemical_formula_sum   'Li8 Fe8 F32'
_cell_volume   797.56757558
_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  0.20663900  0.14279500  0.58451800  1
  Li  Li1  1  0.70663900  0.14279500  0.91548200  1
  Li  Li2  1  0.20663900  0.35720500  0.08451800  1
  Li  Li3  1  0.70663900  0.35720500  0.41548200  1
  Li  Li4  1  0.29336100  0.64279500  0.58451800  1
  Li  Li5  1  0.79336100  0.64279500  0.91548200  1
  Li  Li6  1  0.29336100  0.85720500  0.08451800  1
  Li  Li7  1  0.79336100  0.85720500  0.41548200  1
  Fe  Fe8  1  0.57792100  0.06388400  0.22952100  1
  Fe  Fe9  1  0.07792100  0.06388400  0.27047900  1
  Fe  Fe10  1  0.07792100  0.43611600  0.77047900  1
  Fe  Fe11  1  0.57792100  0.43611600  0.72952100  1
  Fe  Fe12  1  0.42207900  0.56388400  0.27047900  1
  Fe  Fe13  1  0.92207900  0.56388400  0.22952100  1
  Fe  Fe14  1  0.92207900  0.93611600  0.72952100  1
  Fe  Fe15  1  0.42207900  0.93611600  0.77047900  1
  F  F16  1  0.39889500  0.03748000  0.13897900  1
  F  F17  1  0.89889500  0.03748000  0.36102100  1
  F  F18  1  0.37461300  0.12114800  0.69982800  1
  F  F19  1  0.87461300  0.12114800  0.80017200  1
  F  F20  1  0.21889200  0.12092500  0.39614900  1
  F  F21  1  0.71889200  0.12092500  0.10385100  1
  F  F22  1  0.08203000  0.19403000  0.12700200  1
  F  F23  1  0.58203000  0.19403000  0.37299800  1
  F  F24  1  0.08203000  0.30597000  0.62700200  1
  F  F25  1  0.58203000  0.30597000  0.87299800  1
  F  F26  1  0.21889200  0.37907500  0.89614900  1
  F  F27  1  0.71889200  0.37907500  0.60385100  1
  F  F28  1  0.37461300  0.37885200  0.19982800  1
  F  F29  1  0.87461300  0.37885200  0.30017200  1
  F  F30  1  0.39889500  0.46252000  0.63897900  1
  F  F31  1  0.89889500  0.46252000  0.86102100  1
  F  F32  1  0.10110500  0.53748000  0.13897900  1
  F  F33  1  0.60110500  0.53748000  0.36102100  1
  F  F34  1  0.12538700  0.62114800  0.69982800  1
  F  F35  1  0.62538700  0.62114800  0.80017200  1
  F  F36  1  0.28110800  0.62092500  0.39614900  1
  F  F37  1  0.78110800  0.62092500  0.10385100  1
  F  F38  1  0.41797000  0.69403000  0.12700200  1
  F  F39  1  0.91797000  0.69403000  0.37299800  1
  F  F40  1  0.41797000  0.80597000  0.62700200  1
  F  F41  1  0.91797000  0.80597000  0.87299800  1
  F  F42  1  0.28110800  0.87907500  0.89614900  1
  F  F43  1  0.78110800  0.87907500  0.60385100  1
  F  F44  1  0.12538700  0.87885200  0.19982800  1
  F  F45  1  0.62538700  0.87885200  0.30017200  1
  F  F46  1  0.10110500  0.96252000  0.63897900  1
  F  F47  1  0.60110500  0.96252000  0.86102100  1
