# generated using pymatgen
data_Li4FeC6ClO21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.18310799
_cell_length_b   9.16672032
_cell_length_c   24.66825785
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.05915656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeC6ClO21
_chemical_formula_sum   'Li16 Fe4 C24 Cl4 O84'
_cell_volume   1797.27110224
_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  0.00076579  0.00056677  0.10519922  1
  Li  Li1  1  0.00076579  0.00056677  0.39480078  1
  Li  Li2  1  0.99980098  0.00056677  0.60519922  1
  Li  Li3  1  0.99980098  0.00056677  0.89480078  1
  Li  Li4  1  0.15764639  0.83860004  -0.00002532  1
  Li  Li5  1  0.68095365  0.83860004  0.00002532  1
  Li  Li6  1  0.16152617  0.32305234  0.00000000  1
  Li  Li7  1  0.15764639  0.83860004  0.50002532  1
  Li  Li8  1  0.68095365  0.83860004  0.49997468  1
  Li  Li9  1  0.16152617  0.32305234  0.50000000  1
  Li  Li10  1  0.99214839  0.66925547  0.25000000  1
  Li  Li11  1  0.67634031  0.00472559  0.25000000  1
  Li  Li12  1  0.32848268  0.32511488  0.25000000  1
  Li  Li13  1  0.67710707  0.66925547  0.75000000  1
  Li  Li14  1  0.32838528  0.00472559  0.75000000  1
  Li  Li15  1  0.99663220  0.32511488  0.75000000  1
  Fe  Fe16  1  0.66109515  0.32970907  0.10326342  1
  Fe  Fe17  1  0.66109515  0.32970907  0.39673658  1
  Fe  Fe18  1  0.66861392  0.32970907  0.60326342  1
  Fe  Fe19  1  0.66861392  0.32970907  0.89673658  1
  C  C20  1  0.87520128  0.66586490  0.07867454  1
  C  C21  1  0.78967533  0.11993825  0.07554114  1
  C  C22  1  0.33524700  0.21292033  0.07693680  1
  C  C23  1  0.87520128  0.66586490  0.42132546  1
  C  C24  1  0.78967533  0.11993825  0.42445886  1
  C  C25  1  0.33524700  0.21292033  0.42306320  1
  C  C26  1  0.79066362  0.66586490  0.57867454  1
  C  C27  1  0.33026291  0.11993825  0.57554114  1
  C  C28  1  0.87767333  0.21292033  0.57693680  1
  C  C29  1  0.79066362  0.66586490  0.92132546  1
  C  C30  1  0.33026291  0.11993825  0.92445886  1
  C  C31  1  0.87767333  0.21292033  0.92306320  1
  C  C32  1  0.78000336  0.66906437  0.13178277  1
  C  C33  1  0.88361976  0.21773409  0.12885826  1
  C  C34  1  0.33384196  0.11690218  0.12957582  1
  C  C35  1  0.78000336  0.66906437  0.36821723  1
  C  C36  1  0.88361976  0.21773409  0.37114174  1
  C  C37  1  0.33384196  0.11690218  0.37042418  1
  C  C38  1  0.88906101  0.66906437  0.63178277  1
  C  C39  1  0.33411433  0.21773409  0.62885826  1
  C  C40  1  0.78306022  0.11690218  0.62957582  1
  C  C41  1  0.88906101  0.66906437  0.86821723  1
  C  C42  1  0.33411433  0.21773409  0.87114174  1
  C  C43  1  0.78306022  0.11690218  0.87042418  1
  Cl  Cl44  1  0.33432379  0.66639174  0.07393120  1
  Cl  Cl45  1  0.33432379  0.66639174  0.42606880  1
  Cl  Cl46  1  0.33206794  0.66639174  0.57393120  1
  Cl  Cl47  1  0.33206794  0.66639174  0.92606880  1
  O  O48  1  0.83326340  0.51910447  0.06097173  1
  O  O49  1  0.68334350  0.15680962  0.05717032  1
  O  O50  1  0.48157258  0.32141557  0.05932077  1
  O  O51  1  0.83326340  0.51910447  0.43902827  1
  O  O52  1  0.68334350  0.15680962  0.44282968  1
  O  O53  1  0.48157258  0.32141557  0.44067923  1
  O  O54  1  0.68584107  0.51910447  0.56097173  1
  O  O55  1  0.47346612  0.15680962  0.55717032  1
  O  O56  1  0.83984300  0.32141557  0.55932077  1
  O  O57  1  0.68584107  0.51910447  0.93902827  1
  O  O58  1  0.47346612  0.15680962  0.94282968  1
  O  O59  1  0.83984300  0.32141557  0.94067923  1
  O  O60  1  0.98121965  0.80121707  0.05728302  1
  O  O61  1  0.82601206  0.01656523  0.05550345  1
  O  O62  1  0.19932888  0.18060611  0.05552455  1
  O  O63  1  0.98121965  0.80121707  0.44271698  1
  O  O64  1  0.82601206  0.01656523  0.44449655  1
  O  O65  1  0.19932888  0.18060611  0.44447545  1
  O  O66  1  0.81999742  0.80121707  0.55728302  1
  O  O67  1  0.19055318  0.01656523  0.55550345  1
  O  O68  1  0.98127723  0.18060611  0.55552455  1
  O  O69  1  0.81999742  0.80121707  0.94271698  1
  O  O70  1  0.19055318  0.01656523  0.94449655  1
  O  O71  1  0.98127723  0.18060611  0.94447545  1
  O  O72  1  0.81825783  0.81055626  0.15061220  1
  O  O73  1  0.98816438  0.18537261  0.14934472  1
  O  O74  1  0.19740909  0.01470069  0.15010540  1
  O  O75  1  0.81825783  0.81055626  0.34938780  1
  O  O76  1  0.98816438  0.18537261  0.35065528  1
  O  O77  1  0.19740909  0.01470069  0.34989460  1
  O  O78  1  0.99229843  0.81055626  0.65061220  1
  O  O79  1  0.19720824  0.18537261  0.64934472  1
  O  O80  1  0.81729160  0.01470069  0.65010540  1
  O  O81  1  0.99229843  0.81055626  0.84938780  1
  O  O82  1  0.19720824  0.18537261  0.85065528  1
  O  O83  1  0.81729160  0.01470069  0.84989460  1
  O  O84  1  0.67414129  0.52440024  0.14999023  1
  O  O85  1  0.84056500  0.32230057  0.14648711  1
  O  O86  1  0.48185201  0.15761266  0.14744244  1
  O  O87  1  0.67414129  0.52440024  0.35000977  1
  O  O88  1  0.84056500  0.32230057  0.35351289  1
  O  O89  1  0.48185201  0.15761266  0.35255756  1
  O  O90  1  0.85025895  0.52440024  0.64999023  1
  O  O91  1  0.48173557  0.32230057  0.64648711  1
  O  O92  1  0.67576065  0.15761266  0.64744244  1
  O  O93  1  0.85025895  0.52440024  0.85000977  1
  O  O94  1  0.48173557  0.32230057  0.85351289  1
  O  O95  1  0.67576065  0.15761266  0.85255756  1
  O  O96  1  0.32548823  0.81527098  0.05381314  1
  O  O97  1  0.49098699  0.67404581  0.05320256  1
  O  O98  1  0.18509525  0.51037682  0.05278657  1
  O  O99  1  0.32548823  0.81527098  0.44618686  1
  O  O100  1  0.49098699  0.67404581  0.44679744  1
  O  O101  1  0.18509525  0.51037682  0.44721343  1
  O  O102  1  0.48978275  0.81527098  0.55381314  1
  O  O103  1  0.18305882  0.67404581  0.55320256  1
  O  O104  1  0.32528157  0.51037682  0.55278657  1
  O  O105  1  0.48978275  0.81527098  0.94618686  1
  O  O106  1  0.18305882  0.67404581  0.94679744  1
  O  O107  1  0.32528157  0.51037682  0.94721343  1
  O  O108  1  0.12873153  0.71198926  0.18182319  1
  O  O109  1  0.59405876  0.86726878  0.18037034  1
  O  O110  1  0.27749440  0.41262551  0.18112039  1
  O  O111  1  0.12873153  0.71198926  0.31817681  1
  O  O112  1  0.59405876  0.86726878  0.31962966  1
  O  O113  1  0.27749440  0.41262551  0.31887961  1
  O  O114  1  0.58325773  0.71198926  0.68182319  1
  O  O115  1  0.27321002  0.86726878  0.68037034  1
  O  O116  1  0.13513111  0.41262551  0.68112039  1
  O  O117  1  0.58325773  0.71198926  0.81817681  1
  O  O118  1  0.27321002  0.86726878  0.81962966  1
  O  O119  1  0.13513111  0.41262551  0.81887961  1
  O  O120  1  0.91107752  0.84854666  0.25000000  1
  O  O121  1  0.93648635  0.08898407  0.25000000  1
  O  O122  1  0.15258459  0.06487492  0.25000000  1
  O  O123  1  0.93746914  0.84854666  0.75000000  1
  O  O124  1  0.15249772  0.08898407  0.75000000  1
  O  O125  1  0.91229033  0.06487492  0.75000000  1
  O  O126  1  0.81595537  0.38766326  0.25000000  1
  O  O127  1  0.57176419  0.18165938  0.25000000  1
  O  O128  1  0.61053846  0.42632339  0.25000000  1
  O  O129  1  0.57170789  0.38766326  0.75000000  1
  O  O130  1  0.60989519  0.18165938  0.75000000  1
  O  O131  1  0.81578493  0.42632339  0.75000000  1
