# generated using pymatgen
data_LiFe6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.53218230
_cell_length_b   5.79278131
_cell_length_c   5.79275926
_cell_angle_alpha   70.23769888
_cell_angle_beta   73.37768548
_cell_angle_gamma   73.37696086
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFe6(OF2)4
_chemical_formula_sum   'Li1 Fe6 O4 F8'
_cell_volume   222.84383329
_cell_formula_units_Z   1
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  0.50001100  0.25023900  0.74975400  1
  Fe  Fe1  1  0.84212400  0.64424700  0.65275700  1
  Fe  Fe2  1  0.68189300  0.33213800  0.26916400  1
  Fe  Fe3  1  0.31807100  0.73080000  0.66786800  1
  Fe  Fe4  1  0.15786700  0.34723000  0.35576100  1
  Fe  Fe5  1  0.49999900  0.86527300  0.13473900  1
  Fe  Fe6  1  0.00000700  0.99786900  0.00213900  1
  O  O7  1  0.32466000  0.02354600  0.37979700  1
  O  O8  1  0.67534500  0.62023000  0.97644500  1
  O  O9  1  0.00000200  0.30112000  0.69888400  1
  O  O10  1  0.00000600  0.70216800  0.29783500  1
  F  F11  1  0.67899700  0.02893600  0.57012600  1
  F  F12  1  0.32102500  0.42985400  0.97108800  1
  F  F13  1  0.28971100  0.94878000  0.91845700  1
  F  F14  1  0.98216700  0.22733400  0.21109500  1
  F  F15  1  0.63629200  0.54940500  0.54669100  1
  F  F16  1  0.01782200  0.78890400  0.77267600  1
  F  F17  1  0.36371300  0.45329300  0.45060200  1
  F  F18  1  0.71029100  0.08154900  0.05121000  1
