# generated using pymatgen
data_Li3Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64792085
_cell_length_b   9.74523495
_cell_length_c   11.18274066
_cell_angle_alpha   90.12146269
_cell_angle_beta   101.44438186
_cell_angle_gamma   90.04989679
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(P2O7)4
_chemical_formula_sum   'Li6 Fe8 P16 O56'
_cell_volume   1030.50762774
_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  0.33345400  0.91659100  0.46216500  1
  Li  Li1  1  0.38604300  0.21937600  0.55037300  1
  Li  Li2  1  0.58209000  0.40437500  0.02617300  1
  Li  Li3  1  0.91424700  0.90487700  0.97418900  1
  Li  Li4  1  0.83435600  0.58148400  0.46331100  1
  Li  Li5  1  0.88687700  0.28077200  0.55002200  1
  Fe  Fe6  1  0.20498100  0.91364900  0.67797600  1
  Fe  Fe7  1  0.25150000  0.21012500  0.82898100  1
  Fe  Fe8  1  0.24926000  0.71436500  0.17194500  1
  Fe  Fe9  1  0.28991800  0.42804400  0.32978000  1
  Fe  Fe10  1  0.70309800  0.58525000  0.67730300  1
  Fe  Fe11  1  0.75267000  0.29027800  0.82472200  1
  Fe  Fe12  1  0.74739000  0.78498200  0.17504300  1
  Fe  Fe13  1  0.79170300  0.06974800  0.33305200  1
  P  P14  1  0.02331100  0.44660000  0.75169600  1
  P  P15  1  0.11524800  0.70945200  0.88711900  1
  P  P16  1  0.06366000  0.92227000  0.23737500  1
  P  P17  1  0.12217600  0.14773800  0.42055500  1
  P  P18  1  0.37719600  0.64215100  0.57555700  1
  P  P19  1  0.43498600  0.42365000  0.76195100  1
  P  P20  1  0.52318800  0.05347000  0.75137000  1
  P  P21  1  0.38230300  0.21350300  0.11611200  1
  P  P22  1  0.61264300  0.79030900  0.88880400  1
  P  P23  1  0.47620500  0.94659900  0.24729100  1
  P  P24  1  0.56251100  0.57640800  0.23697000  1
  P  P25  1  0.62180800  0.35167800  0.42206500  1
  P  P26  1  0.87798100  0.85593300  0.57508300  1
  P  P27  1  0.93572300  0.07527900  0.76243300  1
  P  P28  1  0.88282100  0.28606700  0.11354100  1
  P  P29  1  0.97555900  0.55411300  0.24718700  1
  O  O30  1  0.02058000  0.41587000  0.62025200  1
  O  O31  1  0.03560500  0.84888300  0.56913900  1
  O  O32  1  0.08906200  0.08485600  0.73459500  1
  O  O33  1  0.10070600  0.59067700  0.78372600  1
  O  O34  1  0.10918300  0.34410600  0.84336500  1
  O  O35  1  0.18254700  0.82669600  0.82421100  1
  O  O36  1  0.21729500  0.66008600  0.00489100  1
  O  O37  1  0.02589300  0.25730300  0.08085100  1
  O  O38  1  0.11796700  0.06947000  0.29298000  1
  O  O39  1  0.06786700  0.91621600  0.10471200  1
  O  O40  1  0.13057200  0.54336700  0.22226200  1
  O  O41  1  0.18862200  0.28756000  0.40481800  1
  O  O42  1  0.17291800  0.81644900  0.30434700  1
  O  O43  1  0.21938200  0.06524500  0.52038600  1
  O  O44  1  0.29114700  0.56255300  0.46992900  1
  O  O45  1  0.33880700  0.30600200  0.69770500  1
  O  O46  1  0.32108700  0.78779900  0.59357800  1
  O  O47  1  0.36883400  0.03994600  0.77871600  1
  O  O48  1  0.37128900  0.56522100  0.70242800  1
  O  O49  1  0.43024000  0.42077200  0.89434000  1
  O  O50  1  0.47245900  0.76083100  0.91766600  1
  O  O51  1  0.28130600  0.16409000  0.99717200  1
  O  O52  1  0.31870300  0.32946600  0.18204800  1
  O  O53  1  0.39875700  0.09114300  0.21564500  1
  O  O54  1  0.41029400  0.59069400  0.26486300  1
  O  O55  1  0.39316700  0.84418300  0.15253200  1
  O  O56  1  0.46831800  0.34081200  0.43805400  1
  O  O57  1  0.52139600  0.08316100  0.62003000  1
  O  O58  1  0.47332800  0.91630300  0.37684600  1
  O  O59  1  0.53533600  0.64996700  0.56956900  1
  O  O60  1  0.61048900  0.15716500  0.84185100  1
  O  O61  1  0.58892000  0.41447700  0.73264000  1
  O  O62  1  0.60065800  0.90940700  0.78530200  1
  O  O63  1  0.67946400  0.67242700  0.82512000  1
  O  O64  1  0.72258900  0.84185400  0.00326700  1
  O  O65  1  0.52645100  0.24049800  0.08999200  1
  O  O66  1  0.57231200  0.57451600  0.10530100  1
  O  O67  1  0.61861600  0.43086000  0.29547100  1
  O  O68  1  0.63176700  0.95816000  0.22317100  1
  O  O69  1  0.68879700  0.21213200  0.40486800  1
  O  O70  1  0.66885100  0.68576300  0.30315300  1
  O  O71  1  0.72021400  0.43419400  0.52184000  1
  O  O72  1  0.79126000  0.93587200  0.46963100  1
  O  O73  1  0.84194500  0.19456500  0.69833300  1
  O  O74  1  0.81975100  0.71118200  0.59252700  1
  O  O75  1  0.86824100  0.45979600  0.77918700  1
  O  O76  1  0.92356400  0.07350000  0.89337000  1
  O  O77  1  0.87009200  0.93449700  0.70068500  1
  O  O78  1  0.97155900  0.73920000  0.91008100  1
  O  O79  1  0.77702300  0.33951900  0.99794100  1
  O  O80  1  0.82268300  0.16758900  0.17809700  1
  O  O81  1  0.89084400  0.65600400  0.15372300  1
  O  O82  1  0.89931200  0.40814500  0.21428200  1
  O  O83  1  0.91072600  0.90897500  0.26616300  1
  O  O84  1  0.96822900  0.15911800  0.43664700  1
  O  O85  1  0.97231500  0.58466600  0.37681700  1
