# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73147100
_cell_length_b   9.78538144
_cell_length_c   11.14188748
_cell_angle_alpha   90.06032792
_cell_angle_beta   101.85303290
_cell_angle_gamma   90.23802214
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li8 Fe8 P16 O56'
_cell_volume   1038.36522844
_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  0.09441800  0.10602900  0.02821500  1
  Li  Li1  1  0.41890600  0.59975400  0.98067000  1
  Li  Li2  1  0.39391800  0.96382200  0.50295400  1
  Li  Li3  1  0.85075200  0.59149400  0.95159500  1
  Li  Li4  1  0.64716700  0.11216700  0.04557900  1
  Li  Li5  1  0.90692600  0.88988000  0.96922900  1
  Li  Li6  1  0.85630200  0.57679700  0.47815800  1
  Li  Li7  1  0.88185400  0.28210300  0.54454300  1
  Fe  Fe8  1  0.20272800  0.91484200  0.67269500  1
  Fe  Fe9  1  0.24907200  0.21181300  0.82542000  1
  Fe  Fe10  1  0.25602300  0.70453300  0.17811600  1
  Fe  Fe11  1  0.29256000  0.41514500  0.33602700  1
  Fe  Fe12  1  0.69867800  0.58458400  0.67139100  1
  Fe  Fe13  1  0.74093100  0.29423000  0.82467200  1
  Fe  Fe14  1  0.74380700  0.77480900  0.17455800  1
  Fe  Fe15  1  0.79187600  0.07023900  0.33282500  1
  P  P16  1  0.01671100  0.44994100  0.74960600  1
  P  P17  1  0.11765400  0.70792100  0.88545600  1
  P  P18  1  0.05859700  0.92002900  0.23325700  1
  P  P19  1  0.12408100  0.14054900  0.42536800  1
  P  P20  1  0.37192800  0.64316900  0.57195400  1
  P  P21  1  0.42856300  0.42273800  0.76287200  1
  P  P22  1  0.51842200  0.04886100  0.74771200  1
  P  P23  1  0.38590300  0.21443400  0.11823200  1
  P  P24  1  0.60854300  0.78782900  0.88192900  1
  P  P25  1  0.47423700  0.94566900  0.24557600  1
  P  P26  1  0.57300000  0.58465900  0.24424600  1
  P  P27  1  0.62397000  0.35659500  0.41871200  1
  P  P28  1  0.87322000  0.85824900  0.57366200  1
  P  P29  1  0.93466600  0.07784700  0.76233100  1
  P  P30  1  0.89125500  0.28442000  0.11942900  1
  P  P31  1  0.97855900  0.55223100  0.24253500  1
  O  O32  1  0.00196600  0.43103800  0.61439600  1
  O  O33  1  0.02890500  0.84799900  0.57135000  1
  O  O34  1  0.08627600  0.08560900  0.73541600  1
  O  O35  1  0.10646900  0.58665000  0.78608600  1
  O  O36  1  0.09650100  0.33952600  0.83378600  1
  O  O37  1  0.17735800  0.82767500  0.82460900  1
  O  O38  1  0.22170600  0.65793100  0.00286300  1
  O  O39  1  0.03602200  0.25313800  0.10594300  1
  O  O40  1  0.12015000  0.05817300  0.29903300  1
  O  O41  1  0.05978400  0.93495800  0.09922800  1
  O  O42  1  0.13172400  0.53399400  0.22020300  1
  O  O43  1  0.18248500  0.28084800  0.40324800  1
  O  O44  1  0.15833300  0.80401800  0.28755800  1
  O  O45  1  0.21402100  0.05641600  0.52676300  1
  O  O46  1  0.29084500  0.56913200  0.46031400  1
  O  O47  1  0.34138300  0.29799800  0.70578200  1
  O  O48  1  0.31869200  0.78707500  0.59493600  1
  O  O49  1  0.36787400  0.03232800  0.77847800  1
  O  O50  1  0.35971100  0.55519400  0.69194800  1
  O  O51  1  0.41969100  0.43364500  0.89512600  1
  O  O52  1  0.46510600  0.75072800  0.89551600  1
  O  O53  1  0.27860900  0.16885800  0.99814200  1
  O  O54  1  0.32333900  0.32767600  0.18460700  1
  O  O55  1  0.38911300  0.08494000  0.20996400  1
  O  O56  1  0.41767100  0.58652600  0.25957600  1
  O  O57  1  0.39619500  0.83850200  0.15398800  1
  O  O58  1  0.47282000  0.34701900  0.43245100  1
  O  O59  1  0.52083500  0.07293300  0.61706800  1
  O  O60  1  0.47589300  0.91727900  0.37620200  1
  O  O61  1  0.53043100  0.65287600  0.57429700  1
  O  O62  1  0.60527900  0.15046900  0.84358900  1
  O  O63  1  0.58467600  0.41738000  0.73977000  1
  O  O64  1  0.60225600  0.90703500  0.78323100  1
  O  O65  1  0.69121100  0.67318900  0.83103000  1
  O  O66  1  0.70968800  0.84474900  0.00166100  1
  O  O67  1  0.52839900  0.23771500  0.09417300  1
  O  O68  1  0.59012400  0.60664300  0.11231800  1
  O  O69  1  0.62893200  0.43747400  0.29219400  1
  O  O70  1  0.62688600  0.96459100  0.21546700  1
  O  O71  1  0.69436400  0.21957700  0.40395100  1
  O  O72  1  0.67493400  0.69143900  0.31733100  1
  O  O73  1  0.71895400  0.43929200  0.52246100  1
  O  O74  1  0.78808200  0.93296700  0.46423700  1
  O  O75  1  0.84293700  0.20136100  0.70740600  1
  O  O76  1  0.81590900  0.71537800  0.59671100  1
  O  O77  1  0.86691200  0.47154400  0.78602000  1
  O  O78  1  0.93081300  0.06390400  0.89591500  1
  O  O79  1  0.86163400  0.94457600  0.69520700  1
  O  O80  1  0.97332300  0.72972700  0.90931400  1
  O  O81  1  0.79633100  0.33654700  0.99561400  1
  O  O82  1  0.81201500  0.16899000  0.17274500  1
  O  O83  1  0.89477500  0.64778100  0.14005400  1
  O  O84  1  0.89667600  0.40773500  0.21562900  1
  O  O85  1  0.90556900  0.90554700  0.25798900  1
  O  O86  1  0.96887600  0.15288200  0.43713800  1
  O  O87  1  0.96917500  0.59172600  0.36869300  1
