# generated using pymatgen
data_LiFe2OF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18074400
_cell_length_b   6.24199100
_cell_length_c   10.48246400
_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   338.98357100
_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  0.97764400  0.25000000  0.59188300  1
  Li  Li1  1  0.52235600  0.25000000  0.09188300  1
  Li  Li2  1  0.47764400  0.75000000  0.90811700  1
  Li  Li3  1  0.02235600  0.75000000  0.40811700  1
  Fe  Fe4  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe5  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe6  1  0.99963900  0.75000000  0.74057800  1
  Fe  Fe7  1  0.50036100  0.75000000  0.24057800  1
  Fe  Fe8  1  0.50000000  0.00000000  0.50000000  1
  Fe  Fe9  1  0.50000000  0.50000000  0.50000000  1
  Fe  Fe10  1  0.49963900  0.25000000  0.75942200  1
  Fe  Fe11  1  0.00036100  0.25000000  0.25942200  1
  O  O12  1  0.84418700  0.75000000  0.91396100  1
  O  O13  1  0.65581300  0.75000000  0.41396100  1
  O  O14  1  0.34418700  0.25000000  0.58603900  1
  O  O15  1  0.15581300  0.25000000  0.08603900  1
  F  F16  1  0.79539900  0.25000000  0.42733000  1
  F  F17  1  0.77559000  0.48313100  0.66641400  1
  F  F18  1  0.77559000  0.01686900  0.66641400  1
  F  F19  1  0.72441000  0.48313100  0.16641400  1
  F  F20  1  0.72441000  0.01686900  0.16641400  1
  F  F21  1  0.70460100  0.25000000  0.92733000  1
  F  F22  1  0.29539900  0.75000000  0.07267000  1
  F  F23  1  0.27559000  0.51686900  0.83358600  1
  F  F24  1  0.27559000  0.98313100  0.83358600  1
  F  F25  1  0.22441000  0.98313100  0.33358600  1
  F  F26  1  0.22441000  0.51686900  0.33358600  1
  F  F27  1  0.20460100  0.75000000  0.57267000  1
