# generated using pymatgen
data_LiFeF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37373000
_cell_length_b   10.87202300
_cell_length_c   13.51641400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF5
_chemical_formula_sum   'Li8 Fe8 F40'
_cell_volume   789.67372841
_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  0.75000000  0.40000000  0.05860300  1
  Li  Li1  1  0.25000000  0.86688100  0.18950400  1
  Li  Li2  1  0.75000000  0.36688100  0.31049600  1
  Li  Li3  1  0.25000000  0.90000000  0.44139700  1
  Li  Li4  1  0.75000000  0.10000000  0.55860300  1
  Li  Li5  1  0.25000000  0.63311900  0.68950400  1
  Li  Li6  1  0.75000000  0.13311900  0.81049600  1
  Li  Li7  1  0.25000000  0.60000000  0.94139700  1
  Fe  Fe8  1  0.25000000  0.17166300  0.05091000  1
  Fe  Fe9  1  0.75000000  0.06088800  0.29427300  1
  Fe  Fe10  1  0.25000000  0.56088800  0.20572700  1
  Fe  Fe11  1  0.75000000  0.67166300  0.44909000  1
  Fe  Fe12  1  0.25000000  0.32833700  0.55091000  1
  Fe  Fe13  1  0.75000000  0.43911200  0.79427300  1
  Fe  Fe14  1  0.25000000  0.93911200  0.70572700  1
  Fe  Fe15  1  0.75000000  0.82833700  0.94909000  1
  F  F16  1  0.01577700  0.29121900  0.05564500  1
  F  F17  1  0.48422300  0.29121900  0.05564500  1
  F  F18  1  0.75000000  0.84851000  0.08340800  1
  F  F19  1  0.01993800  0.06455800  0.09103600  1
  F  F20  1  0.48006200  0.06455800  0.09103600  1
  F  F21  1  0.25000000  0.53619900  0.06904700  1
  F  F22  1  0.02521200  0.68294600  0.21232000  1
  F  F23  1  0.47478800  0.68294600  0.21232000  1
  F  F24  1  0.00666800  0.44724200  0.22699000  1
  F  F25  1  0.49333200  0.44724200  0.22699000  1
  F  F26  1  0.50666800  0.94724200  0.27301000  1
  F  F27  1  0.99333200  0.94724200  0.27301000  1
  F  F28  1  0.52521200  0.18294600  0.28768000  1
  F  F29  1  0.97478800  0.18294600  0.28768000  1
  F  F30  1  0.75000000  0.03619900  0.43095300  1
  F  F31  1  0.51993800  0.56455800  0.40896400  1
  F  F32  1  0.98006200  0.56455800  0.40896400  1
  F  F33  1  0.25000000  0.34851000  0.41659200  1
  F  F34  1  0.51577700  0.79121900  0.44435500  1
  F  F35  1  0.98422300  0.79121900  0.44435500  1
  F  F36  1  0.01577700  0.20878100  0.55564500  1
  F  F37  1  0.48422300  0.20878100  0.55564500  1
  F  F38  1  0.75000000  0.65149000  0.58340800  1
  F  F39  1  0.01993800  0.43544200  0.59103600  1
  F  F40  1  0.48006200  0.43544200  0.59103600  1
  F  F41  1  0.25000000  0.96380100  0.56904700  1
  F  F42  1  0.02521200  0.81705400  0.71232000  1
  F  F43  1  0.47478800  0.81705400  0.71232000  1
  F  F44  1  0.00666800  0.05275800  0.72699000  1
  F  F45  1  0.49333200  0.05275800  0.72699000  1
  F  F46  1  0.50666800  0.55275800  0.77301000  1
  F  F47  1  0.99333200  0.55275800  0.77301000  1
  F  F48  1  0.52521200  0.31705400  0.78768000  1
  F  F49  1  0.97478800  0.31705400  0.78768000  1
  F  F50  1  0.75000000  0.46380100  0.93095300  1
  F  F51  1  0.51993800  0.93544200  0.90896400  1
  F  F52  1  0.98006200  0.93544200  0.90896400  1
  F  F53  1  0.25000000  0.15149000  0.91659200  1
  F  F54  1  0.51577700  0.70878100  0.94435500  1
  F  F55  1  0.98422300  0.70878100  0.94435500  1
