# generated using pymatgen
data_Li2FeF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62819800
_cell_length_b   8.62819800
_cell_length_c   6.51544800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeF4
_chemical_formula_sum   'Li8 Fe4 F16'
_cell_volume   485.04774346
_cell_formula_units_Z   4
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  0.77320200  0.25150500  0.50000000  1
  Li  Li1  1  0.25150500  0.22679800  0.00000000  1
  Li  Li2  1  0.75150500  0.27320200  0.00000000  1
  Li  Li3  1  0.27320200  0.24849500  0.50000000  1
  Li  Li4  1  0.72679800  0.75150500  0.50000000  1
  Li  Li5  1  0.24849500  0.72679800  0.00000000  1
  Li  Li6  1  0.74849500  0.77320200  0.00000000  1
  Li  Li7  1  0.22679800  0.74849500  0.50000000  1
  Fe  Fe8  1  0.50000000  0.00000000  0.25000000  1
  Fe  Fe9  1  0.50000000  0.00000000  0.75000000  1
  Fe  Fe10  1  0.00000000  0.50000000  0.75000000  1
  Fe  Fe11  1  0.00000000  0.50000000  0.25000000  1
  F  F12  1  0.61409200  0.11249500  0.00000000  1
  F  F13  1  0.61249500  0.11409200  0.50000000  1
  F  F14  1  0.33195500  0.16804500  0.25000000  1
  F  F15  1  0.33195500  0.16804500  0.75000000  1
  F  F16  1  0.83195500  0.33195500  0.25000000  1
  F  F17  1  0.83195500  0.33195500  0.75000000  1
  F  F18  1  0.11249500  0.38590800  0.50000000  1
  F  F19  1  0.11409200  0.38750500  0.00000000  1
  F  F20  1  0.88590800  0.61249500  0.00000000  1
  F  F21  1  0.88750500  0.61409200  0.50000000  1
  F  F22  1  0.16804500  0.66804500  0.25000000  1
  F  F23  1  0.16804500  0.66804500  0.75000000  1
  F  F24  1  0.66804500  0.83195500  0.25000000  1
  F  F25  1  0.66804500  0.83195500  0.75000000  1
  F  F26  1  0.38750500  0.88590800  0.50000000  1
  F  F27  1  0.38590800  0.88750500  0.00000000  1
