# generated using pymatgen
data_LiFeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02104200
_cell_length_b   7.23659074
_cell_length_c   7.87495474
_cell_angle_alpha   94.44735984
_cell_angle_beta   102.93816258
_cell_angle_gamma   90.09398880
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeF3
_chemical_formula_sum   'Li6 Fe6 F18'
_cell_volume   388.70742028
_cell_formula_units_Z   6
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  0.26609100  0.45365000  0.08195000  1
  Li  Li1  1  0.59352700  0.24161000  0.33070200  1
  Li  Li2  1  0.07377400  0.24512200  0.33651700  1
  Li  Li3  1  0.92622600  0.75487800  0.66348300  1
  Li  Li4  1  0.40647300  0.75839000  0.66929800  1
  Li  Li5  1  0.73390900  0.54635000  0.91805000  1
  Fe  Fe6  1  0.76105200  0.03992800  0.03737500  1
  Fe  Fe7  1  0.23894800  0.96007200  0.96262500  1
  Fe  Fe8  1  0.56281200  0.73962400  0.26408800  1
  Fe  Fe9  1  0.07527500  0.74556200  0.27357800  1
  Fe  Fe10  1  0.92472500  0.25443800  0.72642200  1
  Fe  Fe11  1  0.43718800  0.26037600  0.73591200  1
  F  F12  1  0.77814300  0.75171700  0.08316600  1
  F  F13  1  0.26832400  0.70897700  0.07687000  1
  F  F14  1  0.50125000  0.00425000  0.17494800  1
  F  F15  1  0.51958000  0.46462800  0.23099000  1
  F  F16  1  0.81908000  0.18841400  0.26962700  1
  F  F17  1  0.09986600  0.47053100  0.24341000  1
  F  F18  1  0.09396800  0.00688000  0.17661700  1
  F  F19  1  0.85036400  0.76983000  0.42088100  1
  F  F20  1  0.36579600  0.77824800  0.42950300  1
  F  F21  1  0.63420400  0.22175200  0.57049700  1
  F  F22  1  0.14963600  0.23017000  0.57911900  1
  F  F23  1  0.90603200  0.99312000  0.82338300  1
  F  F24  1  0.90013400  0.52946900  0.75659000  1
  F  F25  1  0.18092000  0.81158600  0.73037300  1
  F  F26  1  0.48042000  0.53537200  0.76901000  1
  F  F27  1  0.49875000  0.99575000  0.82505200  1
  F  F28  1  0.73167600  0.29102300  0.92313000  1
  F  F29  1  0.22185700  0.24828300  0.91683400  1
