# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18579200
_cell_length_b   6.26786100
_cell_length_c   8.56716200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe2OF3
_chemical_formula_sum   'Li4 Fe8 O4 F12'
_cell_volume   332.16330153
_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  0.25689700  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.23884300  0.75000000  1
  Li  Li2  1  0.50000000  0.76115700  0.25000000  1
  Li  Li3  1  0.74310300  0.50000000  0.50000000  1
  Fe  Fe4  1  0.00000000  0.24178600  0.75000000  1
  Fe  Fe5  1  0.00000000  0.75821400  0.25000000  1
  Fe  Fe6  1  0.26111400  0.22528600  0.35785200  1
  Fe  Fe7  1  0.26111400  0.77471400  0.64214800  1
  Fe  Fe8  1  0.25848500  0.00000000  0.00000000  1
  Fe  Fe9  1  0.74151500  0.00000000  0.50000000  1
  Fe  Fe10  1  0.73888600  0.22528600  0.14214800  1
  Fe  Fe11  1  0.73888600  0.77471400  0.85785200  1
  O  O12  1  0.24991800  0.02695300  0.76893800  1
  O  O13  1  0.24991800  0.97304700  0.23106200  1
  O  O14  1  0.75008200  0.97304700  0.26893800  1
  O  O15  1  0.75008200  0.02695300  0.73106200  1
  F  F16  1  0.01709500  0.27135100  0.00617700  1
  F  F17  1  0.01709500  0.72864900  0.99382300  1
  F  F18  1  0.24603600  0.51581700  0.24193000  1
  F  F19  1  0.24603600  0.48418300  0.75807000  1
  F  F20  1  0.49174200  0.27224900  0.99338300  1
  F  F21  1  0.49174200  0.72775100  0.00661700  1
  F  F22  1  0.50825800  0.27224900  0.50661700  1
  F  F23  1  0.50825800  0.72775100  0.49338300  1
  F  F24  1  0.75396400  0.51581700  0.25807000  1
  F  F25  1  0.75396400  0.48418300  0.74193000  1
  F  F26  1  0.98290500  0.27135100  0.49382300  1
  F  F27  1  0.98290500  0.72864900  0.50617700  1
