# generated using pymatgen
data_Li3Fe4(P2O7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71930100
_cell_length_b   9.84816177
_cell_length_c   11.14300451
_cell_angle_alpha   90.18305428
_cell_angle_beta   101.84705173
_cell_angle_gamma   90.09923625
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Fe4(P2O7)4
_chemical_formula_sum   'Li6 Fe8 P16 O56'
_cell_volume   1043.85025863
_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  0.90827300  0.10646000  0.97375900  1
  Li  Li1  1  0.59445600  0.60691800  0.02933100  1
  Li  Li2  1  0.40630200  0.39571400  0.97129800  1
  Li  Li3  1  0.09366300  0.89416000  0.02687600  1
  Li  Li4  1  0.15299000  0.57649400  0.52645200  1
  Li  Li5  1  0.11310400  0.28316600  0.45280700  1
  Fe  Fe6  1  0.79393700  0.91500000  0.34016900  1
  Fe  Fe7  1  0.75356500  0.20500900  0.17959700  1
  Fe  Fe8  1  0.75078400  0.70105100  0.82102900  1
  Fe  Fe9  1  0.70648100  0.41817300  0.65977800  1
  Fe  Fe10  1  0.29904000  0.58644000  0.32496100  1
  Fe  Fe11  1  0.24845300  0.29706300  0.17669000  1
  Fe  Fe12  1  0.24549700  0.78973800  0.82120100  1
  Fe  Fe13  1  0.20478600  0.07731600  0.66679900  1
  P  P14  1  0.97844300  0.44754500  0.24798200  1
  P  P15  1  0.88446800  0.71313100  0.11821300  1
  P  P16  1  0.93718700  0.92398700  0.76131800  1
  P  P17  1  0.87313200  0.14348200  0.57055800  1
  P  P18  1  0.62510200  0.64293100  0.42859500  1
  P  P19  1  0.56310900  0.42449500  0.23847900  1
  P  P20  1  0.47828800  0.05394700  0.24743100  1
  P  P21  1  0.61660400  0.21309100  0.88328800  1
  P  P22  1  0.38673900  0.79103900  0.11329100  1
  P  P23  1  0.52262300  0.94640600  0.75265100  1
  P  P24  1  0.43670700  0.57486500  0.76291700  1
  P  P25  1  0.37623400  0.35490900  0.57650000  1
  P  P26  1  0.12684700  0.85755500  0.42791700  1
  P  P27  1  0.06451300  0.07398800  0.23945200  1
  P  P28  1  0.11459300  0.28624800  0.88265000  1
  P  P29  1  0.02232000  0.55329200  0.75464100  1
  O  O30  1  0.98546100  0.42373300  0.38163100  1
  O  O31  1  0.97190700  0.84841000  0.43493900  1
  O  O32  1  0.91256400  0.08310400  0.26537800  1
  O  O33  1  0.89697800  0.58698200  0.21211800  1
  O  O34  1  0.89501400  0.34037000  0.16058100  1
  O  O35  1  0.81866400  0.82450500  0.18407600  1
  O  O36  1  0.78019500  0.66521400  0.99827700  1
  O  O37  1  0.97335000  0.25832300  0.90882300  1
  O  O38  1  0.87314000  0.05839300  0.69457800  1
  O  O39  1  0.93966600  0.94048500  0.89591600  1
  O  O40  1  0.86851200  0.53645200  0.77839300  1
  O  O41  1  0.81679800  0.28178700  0.59720600  1
  O  O42  1  0.84141900  0.80409400  0.70999300  1
  O  O43  1  0.78660700  0.06505300  0.46400400  1
  O  O44  1  0.71077100  0.56575800  0.53578600  1
  O  O45  1  0.65666200  0.30363200  0.28928100  1
  O  O46  1  0.68135500  0.78215200  0.40362800  1
  O  O47  1  0.63033600  0.03757600  0.22278100  1
  O  O48  1  0.63192300  0.55800300  0.30429300  1
  O  O49  1  0.55923900  0.43981500  0.10367200  1
  O  O50  1  0.52902500  0.76351600  0.08903000  1
  O  O51  1  0.72070200  0.16362600  0.00212200  1
  O  O52  1  0.67996900  0.32541700  0.81725900  1
  O  O53  1  0.60281200  0.08697100  0.78736500  1
  O  O54  1  0.58779200  0.58514100  0.73534500  1
  O  O55  1  0.60632100  0.83926700  0.83817000  1
  O  O56  1  0.52813500  0.34743600  0.56397300  1
  O  O57  1  0.47276100  0.08564700  0.37936700  1
  O  O58  1  0.52648700  0.91342600  0.62040900  1
  O  O59  1  0.46791500  0.64888700  0.43199400  1
  O  O60  1  0.39271600  0.16060000  0.16181400  1
  O  O61  1  0.40968400  0.41577900  0.26614100  1
  O  O62  1  0.39686900  0.91374500  0.21123100  1
  O  O63  1  0.31960400  0.67714900  0.17594300  1
  O  O64  1  0.28081900  0.84002200  0.99559600  1
  O  O65  1  0.47438100  0.24086600  0.90929900  1
  O  O66  1  0.43632200  0.56782100  0.89763500  1
  O  O67  1  0.37342900  0.43461600  0.70360600  1
  O  O68  1  0.36964700  0.96054700  0.77642900  1
  O  O69  1  0.30787000  0.21783700  0.59214100  1
  O  O70  1  0.33392200  0.68707100  0.70385100  1
  O  O71  1  0.27912000  0.43694600  0.47535900  1
  O  O72  1  0.21467900  0.93598100  0.53418000  1
  O  O73  1  0.15661800  0.19606100  0.29687400  1
  O  O74  1  0.18362300  0.71491400  0.40647400  1
  O  O75  1  0.13202200  0.46262000  0.21933600  1
  O  O76  1  0.06846900  0.06492200  0.10559400  1
  O  O77  1  0.13352700  0.93908300  0.30290400  1
  O  O78  1  0.02697700  0.74311600  0.09405900  1
  O  O79  1  0.22169400  0.33388300  0.00175100  1
  O  O80  1  0.18022400  0.17474400  0.81593500  1
  O  O81  1  0.10350000  0.65889600  0.84627700  1
  O  O82  1  0.10392900  0.41270300  0.78980200  1
  O  O83  1  0.08980700  0.91250500  0.73398200  1
  O  O84  1  0.02990600  0.15541700  0.56135400  1
  O  O85  1  0.02691100  0.58013200  0.62441200  1
