# generated using pymatgen
data_Li4FeOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80243300
_cell_length_b   8.00703600
_cell_length_c   6.80243300
_cell_angle_alpha   89.99999158
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeOF4
_chemical_formula_sum   'Li16 Fe4 O4 F16'
_cell_volume   370.51033525
_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  0.29204800  0.23396500  0.09073800  1
  Li  Li1  1  0.79204800  0.48396500  0.59073800  1
  Li  Li2  1  0.29204800  0.73396500  0.09073800  1
  Li  Li3  1  0.79204800  0.98396500  0.59073800  1
  Li  Li4  1  0.40926200  0.98396500  0.79204800  1
  Li  Li5  1  0.90926200  0.23396500  0.29204800  1
  Li  Li6  1  0.40926200  0.48396500  0.79204800  1
  Li  Li7  1  0.90926200  0.73396500  0.29204800  1
  Li  Li8  1  0.59073800  0.48396500  0.20795200  1
  Li  Li9  1  0.09073800  0.73396500  0.70795200  1
  Li  Li10  1  0.59073800  0.98396500  0.20795200  1
  Li  Li11  1  0.09073800  0.23396500  0.70795200  1
  Li  Li12  1  0.70795200  0.23396500  0.90926200  1
  Li  Li13  1  0.20795200  0.48396500  0.40926200  1
  Li  Li14  1  0.70795200  0.73396500  0.90926200  1
  Li  Li15  1  0.20795200  0.98396500  0.40926200  1
  Fe  Fe16  1  0.00000000  0.48417800  0.00000000  1
  Fe  Fe17  1  0.50000000  0.73417800  0.50000000  1
  Fe  Fe18  1  0.00000000  0.98417800  0.00000000  1
  Fe  Fe19  1  0.50000000  0.23417800  0.50000000  1
  O  O20  1  0.00000000  0.23406400  0.00000000  1
  O  O21  1  0.50000000  0.48406400  0.50000000  1
  O  O22  1  0.00000000  0.73406400  0.00000000  1
  O  O23  1  0.50000000  0.98406400  0.50000000  1
  F  F24  1  0.30915700  0.48397500  0.10288700  1
  F  F25  1  0.80915700  0.73397500  0.60288700  1
  F  F26  1  0.30915700  0.98397500  0.10288700  1
  F  F27  1  0.80915700  0.23397500  0.60288700  1
  F  F28  1  0.39711300  0.23397500  0.80915700  1
  F  F29  1  0.89711300  0.48397500  0.30915700  1
  F  F30  1  0.39711300  0.73397500  0.80915700  1
  F  F31  1  0.89711300  0.98397500  0.30915700  1
  F  F32  1  0.60288700  0.23397500  0.19084300  1
  F  F33  1  0.10288700  0.48397500  0.69084300  1
  F  F34  1  0.60288700  0.73397500  0.19084300  1
  F  F35  1  0.10288700  0.98397500  0.69084300  1
  F  F36  1  0.69084300  0.98397500  0.89711300  1
  F  F37  1  0.19084300  0.23397500  0.39711300  1
  F  F38  1  0.69084300  0.48397500  0.89711300  1
  F  F39  1  0.19084300  0.73397500  0.39711300  1
