# generated using pymatgen
data_Li5Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.75036600
_cell_length_b   9.76737461
_cell_length_c   11.18886458
_cell_angle_alpha   89.85669275
_cell_angle_beta   78.43131461
_cell_angle_gamma   89.78998954
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5Fe4(P2O7)4
_chemical_formula_sum   'Li10 Fe8 P16 O56'
_cell_volume   1043.92095776
_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  0.12200800  0.27880400  0.55051600  1
  Li  Li1  1  0.18840700  0.59267600  0.44698200  1
  Li  Li2  1  0.09164600  0.88928000  0.97630000  1
  Li  Li3  1  0.41892900  0.40869600  0.02346600  1
  Li  Li4  1  0.60747000  0.96246700  0.49510400  1
  Li  Li5  1  0.85093300  0.41557700  0.04020200  1
  Li  Li6  1  0.64648200  0.89568000  0.95731600  1
  Li  Li7  1  0.90947100  0.10663700  0.03071300  1
  Li  Li8  1  0.81562000  0.40517700  0.55369300  1
  Li  Li9  1  0.88133400  0.71590600  0.45349500  1
  Fe  Fe10  1  0.20781900  0.07253000  0.32959800  1
  Fe  Fe11  1  0.25605100  0.78258800  0.17490800  1
  Fe  Fe12  1  0.25665900  0.29572300  0.82142200  1
  Fe  Fe13  1  0.29819200  0.58755600  0.67701900  1
  Fe  Fe14  1  0.69983100  0.42044800  0.32641400  1
  Fe  Fe15  1  0.74889000  0.71385900  0.17030200  1
  Fe  Fe16  1  0.73619300  0.22147500  0.82816300  1
  Fe  Fe17  1  0.79689100  0.92553800  0.67726800  1
  P  P18  1  0.02286600  0.54966500  0.24747400  1
  P  P19  1  0.12174800  0.28853200  0.11456100  1
  P  P20  1  0.06121800  0.07269400  0.76307800  1
  P  P21  1  0.12424800  0.85540900  0.57427600  1
  P  P22  1  0.37585400  0.35244300  0.41909100  1
  P  P23  1  0.43165300  0.57601600  0.23954100  1
  P  P24  1  0.52501100  0.94558000  0.24262800  1
  P  P25  1  0.38457800  0.79012600  0.88739400  1
  P  P26  1  0.61334200  0.20935000  0.11880900  1
  P  P27  1  0.47693000  0.04726700  0.74508200  1
  P  P28  1  0.56736100  0.42467500  0.75611700  1
  P  P29  1  0.62108400  0.64799000  0.58040900  1
  P  P30  1  0.87718400  0.14423400  0.42547600  1
  P  P31  1  0.94062200  0.92337100  0.24045400  1
  P  P32  1  0.89020600  0.70700200  0.88147700  1
  P  P33  1  0.98039900  0.44848400  0.75632100  1
  O  O34  1  0.02234800  0.57530500  0.38130000  1
  O  O35  1  0.03075600  0.15768200  0.43909500  1
  O  O36  1  0.09418600  0.91362200  0.26349700  1
  O  O37  1  0.11263900  0.41291100  0.21164900  1
  O  O38  1  0.09862500  0.66064800  0.16152000  1
  O  O39  1  0.17839800  0.17094000  0.18055500  1
  O  O40  1  0.22794700  0.33532600  0.99681100  1
  O  O41  1  0.03364200  0.74609300  0.89478400  1
  O  O42  1  0.13195300  0.93757400  0.69662100  1
  O  O43  1  0.06310900  0.06035000  0.89648100  1
  O  O44  1  0.13784000  0.46406800  0.77253200  1
  O  O45  1  0.18531000  0.71218200  0.59096200  1
  O  O46  1  0.15480700  0.19491100  0.70825300  1
  O  O47  1  0.20495600  0.93412600  0.46677700  1
  O  O48  1  0.28127100  0.43614700  0.52058000  1
  O  O49  1  0.32852900  0.68475200  0.30936900  1
  O  O50  1  0.30842800  0.21335500  0.40754000  1
  O  O51  1  0.36722500  0.95782700  0.22544500  1
  O  O52  1  0.36894900  0.43114200  0.29309900  1
  O  O53  1  0.41654600  0.58521900  0.10807600  1
  O  O54  1  0.47444400  0.24899700  0.09408100  1
  O  O55  1  0.27742700  0.83616500  0.00516300  1
  O  O56  1  0.32066100  0.67295800  0.82500400  1
  O  O57  1  0.38443300  0.91443200  0.79220800  1
  O  O58  1  0.41253900  0.42066700  0.73235800  1
  O  O59  1  0.40028100  0.16319600  0.82650700  1
  O  O60  1  0.46915600  0.65290600  0.56671000  1
  O  O61  1  0.53927400  0.89683600  0.36543500  1
  O  O62  1  0.48199200  0.06062300  0.61221500  1
  O  O63  1  0.52969700  0.34631900  0.42795500  1
  O  O64  1  0.60640200  0.86215700  0.13500300  1
  O  O65  1  0.58277800  0.58120700  0.26446100  1
  O  O66  1  0.59024900  0.09823400  0.22834900  1
  O  O67  1  0.69289900  0.32642700  0.17221500  1
  O  O68  1  0.71713300  0.14558100  0.00852800  1
  O  O69  1  0.52734500  0.76685700  0.90980500  1
  O  O70  1  0.57416600  0.40853700  0.88838600  1
  O  O71  1  0.62367300  0.57469800  0.70928800  1
  O  O72  1  0.62598800  0.02801000  0.78014400  1
  O  O73  1  0.68599300  0.79057900  0.58955300  1
  O  O74  1  0.66843900  0.32182200  0.68098200  1
  O  O75  1  0.71879600  0.56300900  0.48123300  1
  O  O76  1  0.78813300  0.05577500  0.52438800  1
  O  O77  1  0.84668400  0.80917900  0.30519000  1
  O  O78  1  0.81542700  0.28704100  0.40927400  1
  O  O79  1  0.87175200  0.52591500  0.22355600  1
  O  O80  1  0.93361100  0.93168000  0.10738800  1
  O  O81  1  0.88038000  0.06839600  0.29725800  1
  O  O82  1  0.97841100  0.27047500  0.08687000  1
  O  O83  1  0.80070600  0.63862700  0.99544000  1
  O  O84  1  0.80855600  0.82515700  0.83074600  1
  O  O85  1  0.90023200  0.35840000  0.85899000  1
  O  O86  1  0.90845300  0.59653000  0.76987100  1
  O  O87  1  0.91205500  0.08349000  0.73314400  1
  O  O88  1  0.96655100  0.83841400  0.57176300  1
  O  O89  1  0.97544700  0.40526000  0.62735600  1
