# generated using pymatgen
data_Li5Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80139846
_cell_length_b   9.79116419
_cell_length_c   11.17211479
_cell_angle_alpha   89.97078771
_cell_angle_beta   101.99059737
_cell_angle_gamma   90.23099787
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe4(P2O7)4
_chemical_formula_sum   'Li10 Fe8 P16 O56'
_cell_volume   1048.75429172
_cell_formula_units_Z   2
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  0.09173500  0.10946500  0.02781600  1
  Li  Li1  1  0.41539900  0.59717600  0.97557600  1
  Li  Li2  1  0.32701700  0.91175800  0.45427400  1
  Li  Li3  1  0.38086100  0.22081300  0.55027400  1
  Li  Li4  1  0.65245000  0.05927000  0.52726000  1
  Li  Li5  1  0.84818300  0.58138000  0.95689000  1
  Li  Li6  1  0.64511300  0.10655600  0.04129500  1
  Li  Li7  1  0.91045300  0.89267500  0.96887300  1
  Li  Li8  1  0.83727300  0.58224700  0.46411800  1
  Li  Li9  1  0.89070100  0.28290700  0.54732500  1
  Fe  Fe10  1  0.20429300  0.91330400  0.67666200  1
  Fe  Fe11  1  0.25086400  0.21506600  0.82706900  1
  Fe  Fe12  1  0.25197600  0.70422700  0.17711400  1
  Fe  Fe13  1  0.29147600  0.42464900  0.32846600  1
  Fe  Fe14  1  0.69882700  0.58103600  0.67333400  1
  Fe  Fe15  1  0.74795800  0.29502200  0.82744800  1
  Fe  Fe16  1  0.74488600  0.78237000  0.17808800  1
  Fe  Fe17  1  0.80010200  0.07188000  0.32056600  1
  P  P18  1  0.02222900  0.45081500  0.75048400  1
  P  P19  1  0.11879500  0.70770800  0.88754200  1
  P  P20  1  0.06157200  0.92289300  0.23738600  1
  P  P21  1  0.12351100  0.14706900  0.42342300  1
  P  P22  1  0.37477200  0.64418200  0.57347000  1
  P  P23  1  0.43265900  0.42561700  0.76095500  1
  P  P24  1  0.52200600  0.04876000  0.75805600  1
  P  P25  1  0.38545100  0.21432300  0.11517100  1
  P  P26  1  0.61318900  0.78851800  0.88617400  1
  P  P27  1  0.47517700  0.94922300  0.24655600  1
  P  P28  1  0.56616000  0.57641200  0.24056100  1
  P  P29  1  0.62129700  0.35463400  0.42482800  1
  P  P30  1  0.88027800  0.85317600  0.57728800  1
  P  P31  1  0.93905600  0.07397100  0.75936200  1
  P  P32  1  0.88766000  0.29476000  0.11368100  1
  P  P33  1  0.97595700  0.55383400  0.24558300  1
  O  O34  1  0.01412900  0.42448800  0.61768900  1
  O  O35  1  0.03338600  0.84824500  0.56777800  1
  O  O36  1  0.08902200  0.08621000  0.73204600  1
  O  O37  1  0.10788700  0.59082300  0.78486800  1
  O  O38  1  0.10475600  0.34392200  0.83856800  1
  O  O39  1  0.17648300  0.82926400  0.82730800  1
  O  O40  1  0.22561500  0.65780000  0.00307700  1
  O  O41  1  0.02815700  0.26433500  0.09045400  1
  O  O42  1  0.11391900  0.06750300  0.29606100  1
  O  O43  1  0.06157600  0.93387600  0.10304200  1
  O  O44  1  0.12867500  0.54252000  0.22132200  1
  O  O45  1  0.19412700  0.28339800  0.40629300  1
  O  O46  1  0.17015100  0.81698100  0.29878100  1
  O  O47  1  0.22174500  0.06274800  0.52114900  1
  O  O48  1  0.29168100  0.56539700  0.46581600  1
  O  O49  1  0.34206600  0.30454800  0.69847600  1
  O  O50  1  0.31706500  0.78766500  0.59080900  1
  O  O51  1  0.36903800  0.03557900  0.77719200  1
  O  O52  1  0.36607800  0.56397000  0.69807400  1
  O  O53  1  0.42280700  0.42902600  0.89253800  1
  O  O54  1  0.47308400  0.75902800  0.91054500  1
  O  O55  1  0.27558600  0.16629600  0.99851200  1
  O  O56  1  0.32522800  0.33023500  0.18069200  1
  O  O57  1  0.39259400  0.08995300  0.21244100  1
  O  O58  1  0.41464100  0.58784200  0.26566000  1
  O  O59  1  0.38869100  0.84293100  0.16172600  1
  O  O60  1  0.47068000  0.34355100  0.44185200  1
  O  O61  1  0.52584200  0.08968100  0.62852500  1
  O  O62  1  0.48324200  0.93073000  0.38143700  1
  O  O63  1  0.53126100  0.65564800  0.57252300  1
  O  O64  1  0.61102500  0.14238300  0.85610100  1
  O  O65  1  0.58458900  0.41563300  0.73522000  1
  O  O66  1  0.59620900  0.90189400  0.77794300  1
  O  O67  1  0.68925700  0.67078300  0.83360100  1
  O  O68  1  0.71897500  0.84937300  0.99974600  1
  O  O69  1  0.52555300  0.23355500  0.08689900  1
  O  O70  1  0.57275100  0.58502300  0.10796000  1
  O  O71  1  0.61958900  0.42879200  0.29578800  1
  O  O72  1  0.62374100  0.96110100  0.21316800  1
  O  O73  1  0.68856100  0.21360900  0.41700400  1
  O  O74  1  0.67244600  0.68195700  0.30992400  1
  O  O75  1  0.71692300  0.44174800  0.52320100  1
  O  O76  1  0.79021100  0.94071400  0.47764200  1
  O  O77  1  0.83774500  0.18561100  0.69479900  1
  O  O78  1  0.82179200  0.71036100  0.59423700  1
  O  O79  1  0.87370200  0.46889800  0.78380400  1
  O  O80  1  0.93531900  0.07001900  0.89340500  1
  O  O81  1  0.87709000  0.92859400  0.70645500  1
  O  O82  1  0.97677600  0.72632500  0.91633300  1
  O  O83  1  0.79122900  0.36051900  0.99734100  1
  O  O84  1  0.81212800  0.17253700  0.16264300  1
  O  O85  1  0.88776700  0.64312100  0.14296900  1
  O  O86  1  0.90435700  0.40381300  0.22391100  1
  O  O87  1  0.91162400  0.90508700  0.26423600  1
  O  O88  1  0.97214100  0.16108500  0.43848100  1
  O  O89  1  0.97071500  0.59283700  0.37279700  1
