# generated using pymatgen
data_Li4FeC6ClO21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39426315
_cell_length_b   9.39426285
_cell_length_c   25.62449177
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.91291229
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4FeC6ClO21
_chemical_formula_sum   'Li16 Fe4 C24 Cl4 O84'
_cell_volume   1960.16111415
_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  0.00128088  0.00096817  0.89035898  1
  Li  Li1  1  0.00128088  0.00096817  0.60964102  1
  Li  Li2  1  0.99903183  0.99871912  0.39035898  1
  Li  Li3  1  0.99903183  0.99871912  0.10964102  1
  Li  Li4  1  0.87258699  0.74148984  0.00056069  1
  Li  Li5  1  0.25851016  0.12741301  0.99943931  1
  Li  Li6  1  0.86985416  0.13014584  0.00000000  1
  Li  Li7  1  0.87258699  0.74148984  0.49943931  1
  Li  Li8  1  0.25851016  0.12741301  0.50056069  1
  Li  Li9  1  0.86985416  0.13014584  0.50000000  1
  Li  Li10  1  0.94972484  0.61862699  0.75000000  1
  Li  Li11  1  0.37923435  0.32589151  0.75000000  1
  Li  Li12  1  0.66915175  0.05202456  0.75000000  1
  Li  Li13  1  0.38137301  0.05027516  0.25000000  1
  Li  Li14  1  0.67410849  0.62076565  0.25000000  1
  Li  Li15  1  0.94797544  0.33084825  0.25000000  1
  Fe  Fe16  1  0.33347262  0.66679744  0.89712471  1
  Fe  Fe17  1  0.33347262  0.66679744  0.60287529  1
  Fe  Fe18  1  0.33320256  0.66652738  0.39712471  1
  Fe  Fe19  1  0.33320256  0.66652738  0.10287529  1
  C  C20  1  0.12235334  0.78982456  0.92268108  1
  C  C21  1  0.21062720  0.33288737  0.92287424  1
  C  C22  1  0.66783401  0.87881433  0.92261703  1
  C  C23  1  0.12235334  0.78982456  0.57731892  1
  C  C24  1  0.21062720  0.33288737  0.57712576  1
  C  C25  1  0.66783401  0.87881433  0.57738297  1
  C  C26  1  0.21017544  0.87764666  0.42268108  1
  C  C27  1  0.66711263  0.78937280  0.42287424  1
  C  C28  1  0.12118567  0.33216599  0.42261703  1
  C  C29  1  0.21017544  0.87764666  0.07731892  1
  C  C30  1  0.66711263  0.78937280  0.07712576  1
  C  C31  1  0.12118567  0.33216599  0.07738297  1
  C  C32  1  0.21625903  0.88447938  0.87243725  1
  C  C33  1  0.11609754  0.33175445  0.87257982  1
  C  C34  1  0.66797363  0.78340323  0.87262000  1
  C  C35  1  0.21625903  0.88447938  0.62756275  1
  C  C36  1  0.11609754  0.33175445  0.62742018  1
  C  C37  1  0.66797363  0.78340323  0.62738000  1
  C  C38  1  0.11552062  0.78374097  0.37243725  1
  C  C39  1  0.66824555  0.88390246  0.37257982  1
  C  C40  1  0.21659677  0.33202637  0.37262000  1
  C  C41  1  0.11552062  0.78374097  0.12756275  1
  C  C42  1  0.66824555  0.88390246  0.12742018  1
  C  C43  1  0.21659677  0.33202637  0.12738000  1
  Cl  Cl44  1  0.66644486  0.33269762  0.85546024  1
  Cl  Cl45  1  0.66644486  0.33269762  0.64453976  1
  Cl  Cl46  1  0.66730238  0.33355514  0.35546024  1
  Cl  Cl47  1  0.66730238  0.33355514  0.14453976  1
  O  O48  1  0.16162660  0.68762796  0.94045537  1
  O  O49  1  0.31155948  0.47410462  0.94090253  1
  O  O50  1  0.52667961  0.83976013  0.94056907  1
  O  O51  1  0.16162660  0.68762796  0.55954463  1
  O  O52  1  0.31155948  0.47410462  0.55909747  1
  O  O53  1  0.52667961  0.83976013  0.55943093  1
  O  O54  1  0.31237204  0.83837340  0.44045537  1
  O  O55  1  0.52589538  0.68844052  0.44090253  1
  O  O56  1  0.16023987  0.47332038  0.44056907  1
  O  O57  1  0.31237204  0.83837340  0.05954463  1
  O  O58  1  0.52589538  0.68844052  0.05909747  1
  O  O59  1  0.16023987  0.47332038  0.05943093  1
  O  O60  1  0.02035301  0.82320913  0.94312824  1
  O  O61  1  0.17833844  0.19755477  0.94304073  1
  O  O62  1  0.80340578  0.98169264  0.94261838  1
  O  O63  1  0.02035301  0.82320913  0.55687176  1
  O  O64  1  0.17833844  0.19755477  0.55695927  1
  O  O65  1  0.80340578  0.98169264  0.55738162  1
  O  O66  1  0.17679087  0.97964699  0.44312824  1
  O  O67  1  0.80244523  0.82166056  0.44304073  1
  O  O68  1  0.01830736  0.19659422  0.44261838  1
  O  O69  1  0.17679087  0.97964699  0.05687176  1
  O  O70  1  0.80244523  0.82166056  0.05695927  1
  O  O71  1  0.01830736  0.19659422  0.05738162  1
  O  O72  1  0.18720377  0.98903154  0.85349806  1
  O  O73  1  0.01290519  0.19798934  0.85352336  1
  O  O74  1  0.80097008  0.81215826  0.85334806  1
  O  O75  1  0.18720377  0.98903154  0.64650194  1
  O  O76  1  0.01290519  0.19798934  0.64647664  1
  O  O77  1  0.80097008  0.81215826  0.64665194  1
  O  O78  1  0.01096846  0.81279623  0.35349806  1
  O  O79  1  0.80201066  0.98709481  0.35352336  1
  O  O80  1  0.18784174  0.19902992  0.35334806  1
  O  O81  1  0.01096846  0.81279623  0.14650194  1
  O  O82  1  0.80201066  0.98709481  0.14647664  1
  O  O83  1  0.18784174  0.19902992  0.14665194  1
  O  O84  1  0.32040334  0.84356807  0.85582668  1
  O  O85  1  0.15547463  0.47631093  0.85600276  1
  O  O86  1  0.52288959  0.67820351  0.85648145  1
  O  O87  1  0.32040334  0.84356807  0.64417332  1
  O  O88  1  0.15547463  0.47631093  0.64399724  1
  O  O89  1  0.52288959  0.67820351  0.64351855  1
  O  O90  1  0.15643193  0.67959666  0.35582668  1
  O  O91  1  0.52368907  0.84452537  0.35600276  1
  O  O92  1  0.32179649  0.47711041  0.35648145  1
  O  O93  1  0.15643193  0.67959666  0.14417332  1
  O  O94  1  0.52368907  0.84452537  0.14399724  1
  O  O95  1  0.32179649  0.47711041  0.14351855  1
  O  O96  1  0.60217211  0.48452923  0.98208022  1
  O  O97  1  0.51541533  0.11716891  0.98164194  1
  O  O98  1  0.88365749  0.39857710  0.98238524  1
  O  O99  1  0.60217211  0.48452923  0.51791978  1
  O  O100  1  0.51541533  0.11716891  0.51835806  1
  O  O101  1  0.88365749  0.39857710  0.51761476  1
  O  O102  1  0.51547077  0.39782789  0.48208022  1
  O  O103  1  0.88283109  0.48458467  0.48164194  1
  O  O104  1  0.60142290  0.11634251  0.48238524  1
  O  O105  1  0.51547077  0.39782789  0.01791978  1
  O  O106  1  0.88283109  0.48458467  0.01835806  1
  O  O107  1  0.60142290  0.11634251  0.01761476  1
  O  O108  1  0.90077917  0.58210225  0.82565232  1
  O  O109  1  0.41866703  0.31970564  0.82572221  1
  O  O110  1  0.68013153  0.09865347  0.82570035  1
  O  O111  1  0.90077917  0.58210225  0.67434768  1
  O  O112  1  0.41866703  0.31970564  0.67427779  1
  O  O113  1  0.68013153  0.09865347  0.67429965  1
  O  O114  1  0.41789775  0.09922083  0.32565232  1
  O  O115  1  0.68029436  0.58133297  0.32572221  1
  O  O116  1  0.90134653  0.31986847  0.32570035  1
  O  O117  1  0.41789775  0.09922083  0.17434768  1
  O  O118  1  0.68029436  0.58133297  0.17427779  1
  O  O119  1  0.90134653  0.31986847  0.17429965  1
  O  O120  1  0.19160277  0.86984267  0.75000000  1
  O  O121  1  0.13141562  0.32578798  0.75000000  1
  O  O122  1  0.67804578  0.81188769  0.75000000  1
  O  O123  1  0.13015733  0.80839723  0.25000000  1
  O  O124  1  0.67421202  0.86858438  0.25000000  1
  O  O125  1  0.18811231  0.32195422  0.25000000  1
  O  O126  1  0.12141962  0.45139570  0.75000000  1
  O  O127  1  0.55398846  0.67505654  0.75000000  1
  O  O128  1  0.32422547  0.87305411  0.75000000  1
  O  O129  1  0.54860430  0.87858038  0.25000000  1
  O  O130  1  0.32494346  0.44601154  0.25000000  1
  O  O131  1  0.12694589  0.67577453  0.25000000  1
