# generated using pymatgen
data_LiFeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61416500
_cell_length_b   8.67545500
_cell_length_c   8.81932000
_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   659.08366561
_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  0.28307500  0.19290300  0.96969000  1
  Li  Li1  1  0.28307500  0.19290300  0.53031000  1
  Li  Li2  1  0.21692500  0.69290300  0.03031000  1
  Li  Li3  1  0.21692500  0.69290300  0.46969000  1
  Li  Li4  1  0.78307500  0.30709700  0.96969000  1
  Li  Li5  1  0.78307500  0.30709700  0.53031000  1
  Li  Li6  1  0.71692500  0.80709700  0.46969000  1
  Li  Li7  1  0.71692500  0.80709700  0.03031000  1
  Fe  Fe8  1  0.93723100  0.61475600  0.75000000  1
  Fe  Fe9  1  0.11250700  0.99444400  0.75000000  1
  Fe  Fe10  1  0.38749300  0.49444400  0.25000000  1
  Fe  Fe11  1  0.56276900  0.11475600  0.25000000  1
  Fe  Fe12  1  0.43723100  0.88524400  0.75000000  1
  Fe  Fe13  1  0.61250700  0.50555600  0.75000000  1
  Fe  Fe14  1  0.88749300  0.00555600  0.25000000  1
  Fe  Fe15  1  0.06276900  0.38524400  0.25000000  1
  F  F16  1  0.92583900  0.86911600  0.09044300  1
  F  F17  1  0.92583900  0.86911600  0.40955700  1
  F  F18  1  0.07842200  0.59145100  0.90517200  1
  F  F19  1  0.07842200  0.59145100  0.59482800  1
  F  F20  1  0.05468900  0.15259000  0.25000000  1
  F  F21  1  0.16069100  0.60258000  0.25000000  1
  F  F22  1  0.24904700  0.86595600  0.60668800  1
  F  F23  1  0.24904700  0.86595600  0.89331200  1
  F  F24  1  0.25095300  0.36595600  0.10668800  1
  F  F25  1  0.25095300  0.36595600  0.39331200  1
  F  F26  1  0.33930900  0.10258000  0.75000000  1
  F  F27  1  0.44531100  0.65259000  0.75000000  1
  F  F28  1  0.42157800  0.09145100  0.09482800  1
  F  F29  1  0.42157800  0.09145100  0.40517200  1
  F  F30  1  0.57416100  0.36911600  0.90955700  1
  F  F31  1  0.57416100  0.36911600  0.59044300  1
  F  F32  1  0.42583900  0.63088400  0.09044300  1
  F  F33  1  0.42583900  0.63088400  0.40955700  1
  F  F34  1  0.57842200  0.90854900  0.59482800  1
  F  F35  1  0.57842200  0.90854900  0.90517200  1
  F  F36  1  0.55468900  0.34741000  0.25000000  1
  F  F37  1  0.66069100  0.89742000  0.25000000  1
  F  F38  1  0.74904700  0.63404400  0.60668800  1
  F  F39  1  0.74904700  0.63404400  0.89331200  1
  F  F40  1  0.75095300  0.13404400  0.10668800  1
  F  F41  1  0.75095300  0.13404400  0.39331200  1
  F  F42  1  0.83930900  0.39742000  0.75000000  1
  F  F43  1  0.94531100  0.84741000  0.75000000  1
  F  F44  1  0.92157800  0.40854900  0.09482800  1
  F  F45  1  0.92157800  0.40854900  0.40517200  1
  F  F46  1  0.07416100  0.13088400  0.59044300  1
  F  F47  1  0.07416100  0.13088400  0.90955700  1
