# generated using pymatgen
data_Li2Fe3F8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36609800
_cell_length_b   6.21212900
_cell_length_c   9.78262300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe3F8
_chemical_formula_sum   'Li4 Fe6 F16'
_cell_volume   326.10269099
_cell_formula_units_Z   2
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  0.98548800  0.50000000  0.69222800  1
  Li  Li1  1  0.51451200  0.00000000  0.19222800  1
  Li  Li2  1  0.48548800  0.00000000  0.80777200  1
  Li  Li3  1  0.01451200  0.50000000  0.30777200  1
  Fe  Fe4  1  0.00000000  0.76835000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.23165000  0.00000000  1
  Fe  Fe6  1  0.00000000  0.00000000  0.50000000  1
  Fe  Fe7  1  0.50000000  0.50000000  0.00000000  1
  Fe  Fe8  1  0.50000000  0.73165000  0.50000000  1
  Fe  Fe9  1  0.50000000  0.26835000  0.50000000  1
  F  F10  1  0.15204600  0.50000000  0.11613200  1
  F  F11  1  0.17942300  0.75843500  0.39007600  1
  F  F12  1  0.17942300  0.24156500  0.39007600  1
  F  F13  1  0.16896700  0.00000000  0.12152400  1
  F  F14  1  0.33103300  0.50000000  0.62152400  1
  F  F15  1  0.32057700  0.74156500  0.89007600  1
  F  F16  1  0.32057700  0.25843500  0.89007600  1
  F  F17  1  0.34795400  0.00000000  0.61613200  1
  F  F18  1  0.65204600  0.00000000  0.38386800  1
  F  F19  1  0.67942300  0.74156500  0.10992400  1
  F  F20  1  0.67942300  0.25843500  0.10992400  1
  F  F21  1  0.66896700  0.50000000  0.37847600  1
  F  F22  1  0.83103300  0.00000000  0.87847600  1
  F  F23  1  0.82057700  0.75843500  0.60992400  1
  F  F24  1  0.82057700  0.24156500  0.60992400  1
  F  F25  1  0.84795400  0.50000000  0.88386800  1
