# generated using pymatgen
data_Li2Fe2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75139891
_cell_length_b   8.82016844
_cell_length_c   24.36151486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Fe2(SO4)3
_chemical_formula_sum   'Li16 Fe16 S24 O96'
_cell_volume   1880.43640206
_cell_formula_units_Z   8
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  0.03700827  0.62176163  0.29072647  1
  Li  Li1  1  0.03700827  0.87823837  0.79072647  1
  Li  Li2  1  0.14344810  0.93120480  0.00947095  1
  Li  Li3  1  0.14344810  0.56879520  0.50947095  1
  Li  Li4  1  0.35655190  0.06879520  0.50947095  1
  Li  Li5  1  0.35655190  0.43120480  0.00947095  1
  Li  Li6  1  0.46299173  0.12176163  0.29072647  1
  Li  Li7  1  0.46299173  0.37823837  0.79072647  1
  Li  Li8  1  0.53700827  0.62176163  0.20927353  1
  Li  Li9  1  0.53700827  0.87823837  0.70927353  1
  Li  Li10  1  0.64344810  0.56879520  0.99052905  1
  Li  Li11  1  0.64344810  0.93120480  0.49052905  1
  Li  Li12  1  0.85655190  0.43120480  0.49052905  1
  Li  Li13  1  0.85655190  0.06879520  0.99052905  1
  Li  Li14  1  0.96299173  0.12176163  0.20927353  1
  Li  Li15  1  0.96299173  0.37823837  0.70927353  1
  Fe  Fe16  1  0.00289089  0.40092154  0.06484775  1
  Fe  Fe17  1  0.00289089  0.09907846  0.56484775  1
  Fe  Fe18  1  0.00129009  0.79410406  0.17821000  1
  Fe  Fe19  1  0.00129009  0.70589594  0.67821000  1
  Fe  Fe20  1  0.49870891  0.29410406  0.17821000  1
  Fe  Fe21  1  0.49870891  0.20589594  0.67821000  1
  Fe  Fe22  1  0.49710911  0.59907846  0.56484775  1
  Fe  Fe23  1  0.49710911  0.90092154  0.06484775  1
  Fe  Fe24  1  0.50289089  0.40092154  0.43515225  1
  Fe  Fe25  1  0.50289089  0.09907846  0.93515225  1
  Fe  Fe26  1  0.50129009  0.70589594  0.82179000  1
  Fe  Fe27  1  0.50129009  0.79410406  0.32179000  1
  Fe  Fe28  1  0.99870991  0.29410406  0.32179000  1
  Fe  Fe29  1  0.99870991  0.20589594  0.82179000  1
  Fe  Fe30  1  0.99710911  0.90092154  0.43515225  1
  Fe  Fe31  1  0.99710911  0.59907846  0.93515225  1
  S  S32  1  0.14385198  0.94661802  0.29933329  1
  S  S33  1  0.14385198  0.55338198  0.79933329  1
  S  S34  1  0.14837571  0.25330910  0.44766558  1
  S  S35  1  0.14837571  0.24669090  0.94766558  1
  S  S36  1  0.19540686  0.09362222  0.11630214  1
  S  S37  1  0.19540686  0.40637778  0.61630214  1
  S  S38  1  0.30459314  0.59362222  0.11630214  1
  S  S39  1  0.30459314  0.90637778  0.61630214  1
  S  S40  1  0.35162429  0.75330910  0.44766558  1
  S  S41  1  0.35162429  0.74669090  0.94766558  1
  S  S42  1  0.35614802  0.44661802  0.29933329  1
  S  S43  1  0.35614802  0.05338198  0.79933329  1
  S  S44  1  0.64385198  0.55338198  0.70066671  1
  S  S45  1  0.64385198  0.94661802  0.20066671  1
  S  S46  1  0.64837571  0.25330910  0.05233442  1
  S  S47  1  0.64837571  0.24669090  0.55233442  1
  S  S48  1  0.69540686  0.09362222  0.38369786  1
  S  S49  1  0.69540686  0.40637778  0.88369786  1
  S  S50  1  0.80459314  0.59362222  0.38369786  1
  S  S51  1  0.80459314  0.90637778  0.88369786  1
  S  S52  1  0.85162429  0.75330910  0.05233442  1
  S  S53  1  0.85162429  0.74669090  0.55233442  1
  S  S54  1  0.85614802  0.44661802  0.20066671  1
  S  S55  1  0.85614802  0.05338198  0.70066671  1
  O  O56  1  0.06442217  0.38871199  0.46605620  1
  O  O57  1  0.06442217  0.11128801  0.96605620  1
  O  O58  1  0.08156627  0.09368640  0.27858083  1
  O  O59  1  0.08156627  0.40631360  0.77858083  1
  O  O60  1  0.08466181  0.11090655  0.47531461  1
  O  O61  1  0.08466181  0.38909345  0.97531461  1
  O  O62  1  0.08879747  0.91391104  0.35477810  1
  O  O63  1  0.08879747  0.58608896  0.85477810  1
  O  O64  1  0.09528744  0.19165217  0.08321231  1
  O  O65  1  0.09528744  0.30834783  0.58321231  1
  O  O66  1  0.09280927  0.82204263  0.26166225  1
  O  O67  1  0.09280927  0.67795737  0.76166225  1
  O  O68  1  0.09869154  0.01006506  0.15678925  1
  O  O69  1  0.09869154  0.48993494  0.65678925  1
  O  O70  1  0.13904324  0.23264099  0.38814720  1
  O  O71  1  0.13904324  0.26735901  0.88814720  1
  O  O72  1  0.18527329  0.45394094  0.29804990  1
  O  O73  1  0.18527329  0.04605906  0.79804990  1
  O  O74  1  0.18792240  0.68014678  0.14602567  1
  O  O75  1  0.18792240  0.81985322  0.64602567  1
  O  O76  1  0.18871085  0.76438870  0.46603226  1
  O  O77  1  0.18871085  0.73561130  0.96603226  1
  O  O78  1  0.23071454  0.01718470  0.57766888  1
  O  O79  1  0.23071454  0.48281530  0.07766888  1
  O  O80  1  0.26928546  0.98281530  0.07766888  1
  O  O81  1  0.26928546  0.51718470  0.57766888  1
  O  O82  1  0.31128915  0.23561130  0.96603226  1
  O  O83  1  0.31128915  0.26438870  0.46603226  1
  O  O84  1  0.31207760  0.18014678  0.14602567  1
  O  O85  1  0.31207760  0.31985322  0.64602567  1
  O  O86  1  0.31472671  0.95394094  0.29804990  1
  O  O87  1  0.31472671  0.54605906  0.79804990  1
  O  O88  1  0.36095676  0.73264099  0.38814720  1
  O  O89  1  0.36095676  0.76735901  0.88814720  1
  O  O90  1  0.40130846  0.51006506  0.15678925  1
  O  O91  1  0.40130846  0.98993494  0.65678925  1
  O  O92  1  0.40719073  0.32204263  0.26166225  1
  O  O93  1  0.40719073  0.17795737  0.76166225  1
  O  O94  1  0.40471256  0.69165217  0.08321231  1
  O  O95  1  0.40471256  0.80834783  0.58321231  1
  O  O96  1  0.41120253  0.08608896  0.85477810  1
  O  O97  1  0.41120253  0.41391104  0.35477810  1
  O  O98  1  0.41533819  0.61090655  0.47531461  1
  O  O99  1  0.41533819  0.88909345  0.97531461  1
  O  O100  1  0.41843373  0.59368640  0.27858083  1
  O  O101  1  0.41843373  0.90631360  0.77858083  1
  O  O102  1  0.43557783  0.61128801  0.96605620  1
  O  O103  1  0.43557783  0.88871199  0.46605620  1
  O  O104  1  0.56442217  0.38871199  0.03394380  1
  O  O105  1  0.56442217  0.11128801  0.53394380  1
  O  O106  1  0.58156627  0.09368640  0.22141917  1
  O  O107  1  0.58156627  0.40631360  0.72141917  1
  O  O108  1  0.58466181  0.11090655  0.02468539  1
  O  O109  1  0.58466181  0.38909345  0.52468539  1
  O  O110  1  0.58879747  0.58608896  0.64522190  1
  O  O111  1  0.58879747  0.91391104  0.14522190  1
  O  O112  1  0.59528744  0.19165217  0.41678769  1
  O  O113  1  0.59528744  0.30834783  0.91678769  1
  O  O114  1  0.59280927  0.82204263  0.23833775  1
  O  O115  1  0.59280927  0.67795737  0.73833775  1
  O  O116  1  0.59869154  0.01006506  0.34321075  1
  O  O117  1  0.59869154  0.48993494  0.84321075  1
  O  O118  1  0.63904324  0.23264099  0.11185280  1
  O  O119  1  0.63904324  0.26735901  0.61185280  1
  O  O120  1  0.68527329  0.45394094  0.20195010  1
  O  O121  1  0.68527329  0.04605906  0.70195010  1
  O  O122  1  0.68792240  0.68014678  0.35397433  1
  O  O123  1  0.68792240  0.81985322  0.85397433  1
  O  O124  1  0.68871085  0.76438870  0.03396774  1
  O  O125  1  0.68871085  0.73561130  0.53396774  1
  O  O126  1  0.73071454  0.48281530  0.42233112  1
  O  O127  1  0.73071454  0.01718470  0.92233112  1
  O  O128  1  0.76928546  0.98281530  0.42233112  1
  O  O129  1  0.76928546  0.51718470  0.92233112  1
  O  O130  1  0.81128915  0.26438870  0.03396774  1
  O  O131  1  0.81128915  0.23561130  0.53396774  1
  O  O132  1  0.81207760  0.18014678  0.35397433  1
  O  O133  1  0.81207760  0.31985322  0.85397433  1
  O  O134  1  0.81472671  0.54605906  0.70195010  1
  O  O135  1  0.81472671  0.95394094  0.20195010  1
  O  O136  1  0.86095676  0.73264099  0.11185280  1
  O  O137  1  0.86095676  0.76735901  0.61185280  1
  O  O138  1  0.90130846  0.51006506  0.34321075  1
  O  O139  1  0.90130846  0.98993494  0.84321075  1
  O  O140  1  0.90719073  0.32204263  0.23833775  1
  O  O141  1  0.90719073  0.17795737  0.73833775  1
  O  O142  1  0.90471256  0.69165217  0.41678769  1
  O  O143  1  0.90471256  0.80834783  0.91678769  1
  O  O144  1  0.91120253  0.41391104  0.14522190  1
  O  O145  1  0.91120253  0.08608896  0.64522190  1
  O  O146  1  0.91533819  0.61090655  0.02468539  1
  O  O147  1  0.91533819  0.88909345  0.52468539  1
  O  O148  1  0.91843373  0.59368640  0.22141917  1
  O  O149  1  0.91843373  0.90631360  0.72141917  1
  O  O150  1  0.93557783  0.61128801  0.53394380  1
  O  O151  1  0.93557783  0.88871199  0.03394380  1
