# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74214300
_cell_length_b   9.24848700
_cell_length_c   10.06256700
_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   534.38404042
_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  0.05904000  0.58533000  0.20332900  1
  Li  Li1  1  0.55904000  0.41467000  0.20332900  1
  Li  Li2  1  0.55904000  0.91467000  0.29667100  1
  Li  Li3  1  0.05904000  0.08533000  0.29667100  1
  Li  Li4  1  0.44096000  0.08533000  0.70332900  1
  Li  Li5  1  0.94096000  0.91467000  0.70332900  1
  Li  Li6  1  0.94096000  0.41467000  0.79667100  1
  Li  Li7  1  0.44096000  0.58533000  0.79667100  1
  Fe  Fe8  1  0.25000000  0.28407800  0.00000000  1
  Fe  Fe9  1  0.75000000  0.08857800  0.00000000  1
  Fe  Fe10  1  0.25000000  0.91142200  0.00000000  1
  Fe  Fe11  1  0.75000000  0.71592200  0.00000000  1
  Fe  Fe12  1  0.75000000  0.58857800  0.50000000  1
  Fe  Fe13  1  0.25000000  0.78407800  0.50000000  1
  Fe  Fe14  1  0.75000000  0.21592200  0.50000000  1
  Fe  Fe15  1  0.25000000  0.41142200  0.50000000  1
  F  F16  1  0.09239400  0.08782000  0.10207500  1
  F  F17  1  0.59239400  0.91218000  0.10207500  1
  F  F18  1  0.56841200  0.24159900  0.10034900  1
  F  F19  1  0.06841200  0.75840100  0.10034900  1
  F  F20  1  0.74388700  0.56618300  0.14705200  1
  F  F21  1  0.24388700  0.43381700  0.14705200  1
  F  F22  1  0.24388700  0.93381700  0.35294800  1
  F  F23  1  0.74388700  0.06618300  0.35294800  1
  F  F24  1  0.06841200  0.25840100  0.39965100  1
  F  F25  1  0.56841200  0.74159900  0.39965100  1
  F  F26  1  0.09239400  0.58782000  0.39792500  1
  F  F27  1  0.59239400  0.41218000  0.39792500  1
  F  F28  1  0.90760600  0.41218000  0.60207500  1
  F  F29  1  0.40760600  0.58782000  0.60207500  1
  F  F30  1  0.43158800  0.25840100  0.60034900  1
  F  F31  1  0.93158800  0.74159900  0.60034900  1
  F  F32  1  0.25611300  0.93381700  0.64705200  1
  F  F33  1  0.75611300  0.06618300  0.64705200  1
  F  F34  1  0.25611300  0.43381700  0.85294800  1
  F  F35  1  0.75611300  0.56618300  0.85294800  1
  F  F36  1  0.93158800  0.24159900  0.89965100  1
  F  F37  1  0.43158800  0.75840100  0.89965100  1
  F  F38  1  0.40760600  0.08782000  0.89792500  1
  F  F39  1  0.90760600  0.91218000  0.89792500  1
