# generated using pymatgen
data_Li3Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.59709475
_cell_length_b   9.75744251
_cell_length_c   11.26858045
_cell_angle_alpha   89.88341647
_cell_angle_beta   101.25426276
_cell_angle_gamma   90.32071033
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(P2O7)4
_chemical_formula_sum   'Li6 Fe8 P16 O56'
_cell_volume   1034.91695036
_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  0.41409900  0.59804400  0.97690600  1
  Li  Li1  1  0.33206200  0.91194800  0.46251400  1
  Li  Li2  1  0.38791200  0.21396300  0.54679400  1
  Li  Li3  1  0.91501600  0.90126500  0.97753200  1
  Li  Li4  1  0.83216300  0.58860600  0.46258900  1
  Li  Li5  1  0.88642000  0.28556400  0.54630100  1
  Fe  Fe6  1  0.20636000  0.91361700  0.68025400  1
  Fe  Fe7  1  0.25012800  0.20793200  0.82602900  1
  Fe  Fe8  1  0.23762100  0.72269700  0.17027300  1
  Fe  Fe9  1  0.29325300  0.43454100  0.33380000  1
  Fe  Fe10  1  0.70433500  0.58772500  0.68012700  1
  Fe  Fe11  1  0.74940800  0.29678500  0.82122400  1
  Fe  Fe12  1  0.73897000  0.77756700  0.17037200  1
  Fe  Fe13  1  0.79271800  0.06580000  0.33391500  1
  P  P14  1  0.02105900  0.44307700  0.75307800  1
  P  P15  1  0.11176800  0.70941200  0.88576600  1
  P  P16  1  0.06544600  0.91836800  0.24217800  1
  P  P17  1  0.12363400  0.14732000  0.41708200  1
  P  P18  1  0.37688800  0.64196400  0.57590400  1
  P  P19  1  0.43184000  0.42279200  0.76205000  1
  P  P20  1  0.52484800  0.05641800  0.75179300  1
  P  P21  1  0.38372000  0.21485400  0.11811700  1
  P  P22  1  0.61291500  0.79142900  0.88546300  1
  P  P23  1  0.47725900  0.94603100  0.24805500  1
  P  P24  1  0.56528600  0.58128900  0.24172600  1
  P  P25  1  0.62355600  0.35233500  0.41688900  1
  P  P26  1  0.87724100  0.85844300  0.57615600  1
  P  P27  1  0.93146100  0.07671000  0.76300300  1
  P  P28  1  0.88207000  0.28451400  0.11687000  1
  P  P29  1  0.97664600  0.55367800  0.24749700  1
  O  O30  1  0.01855400  0.42092100  0.62194400  1
  O  O31  1  0.03560400  0.85319900  0.57181700  1
  O  O32  1  0.08803100  0.08295200  0.73710500  1
  O  O33  1  0.09960200  0.58495000  0.78996600  1
  O  O34  1  0.10182000  0.33657000  0.84119600  1
  O  O35  1  0.18539700  0.82071400  0.82282700  1
  O  O36  1  0.21612900  0.65964000  0.00215400  1
  O  O37  1  0.02889500  0.25035900  0.08947300  1
  O  O38  1  0.11869600  0.06881500  0.28956000  1
  O  O39  1  0.08035100  0.89980000  0.11158800  1
  O  O40  1  0.13275600  0.54365400  0.22290200  1
  O  O41  1  0.18751100  0.28752900  0.39951000  1
  O  O42  1  0.17167800  0.81562600  0.31433800  1
  O  O43  1  0.22190500  0.06570000  0.51584800  1
  O  O44  1  0.29050500  0.56587500  0.46886900  1
  O  O45  1  0.34161900  0.30127700  0.69868000  1
  O  O46  1  0.32141300  0.78646700  0.59615900  1
  O  O47  1  0.36888600  0.03998900  0.77922100  1
  O  O48  1  0.36469800  0.56004800  0.69781000  1
  O  O49  1  0.41730200  0.42688900  0.89147600  1
  O  O50  1  0.46846400  0.75662600  0.90391800  1
  O  O51  1  0.29522700  0.16454200  0.99712400  1
  O  O52  1  0.32032900  0.32968400  0.18130100  1
  O  O53  1  0.39982400  0.09102500  0.21223300  1
  O  O54  1  0.40874900  0.58849400  0.26144700  1
  O  O55  1  0.39606900  0.84195300  0.15733300  1
  O  O56  1  0.46905200  0.34324600  0.43450100  1
  O  O57  1  0.52245600  0.08002900  0.62053400  1
  O  O58  1  0.47318100  0.92420100  0.37759400  1
  O  O59  1  0.53517200  0.64782800  0.57115400  1
  O  O60  1  0.60499800  0.16646200  0.83912400  1
  O  O61  1  0.58832200  0.41869500  0.73663700  1
  O  O62  1  0.60520400  0.91610800  0.79027300  1
  O  O63  1  0.68496500  0.67931600  0.82312600  1
  O  O64  1  0.71712800  0.84030600  0.00248100  1
  O  O65  1  0.53118500  0.25190800  0.09158100  1
  O  O66  1  0.57947100  0.59976800  0.11101100  1
  O  O67  1  0.61868400  0.43137900  0.28936300  1
  O  O68  1  0.63295300  0.95682600  0.22281000  1
  O  O69  1  0.68723600  0.21277100  0.39946900  1
  O  O70  1  0.67192100  0.68472400  0.31363300  1
  O  O71  1  0.72169500  0.43432400  0.51575300  1
  O  O72  1  0.79105300  0.93347500  0.46865000  1
  O  O73  1  0.84026600  0.19752000  0.69964400  1
  O  O74  1  0.82128400  0.71312500  0.59632600  1
  O  O75  1  0.86342700  0.45623700  0.78054400  1
  O  O76  1  0.91992500  0.06993700  0.89289400  1
  O  O77  1  0.86414700  0.93969600  0.69735600  1
  O  O78  1  0.96811400  0.74394200  0.90470700  1
  O  O79  1  0.79379500  0.33392300  0.99539800  1
  O  O80  1  0.81937600  0.16963000  0.18145200  1
  O  O81  1  0.89626400  0.65782900  0.15713000  1
  O  O82  1  0.89892000  0.40836600  0.21116900  1
  O  O83  1  0.90861200  0.91081900  0.26125400  1
  O  O84  1  0.96939300  0.15617700  0.43484700  1
  O  O85  1  0.97247100  0.57491100  0.37720200  1
