# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67242300
_cell_length_b   9.75606309
_cell_length_c   11.11461813
_cell_angle_alpha   89.92339325
_cell_angle_beta   78.68457357
_cell_angle_gamma   89.87534304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li8 Fe8 P16 O56'
_cell_volume   1028.43822921
_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  0.41476200  0.40114400  0.02228300  1
  Li  Li1  1  0.33473000  0.08571300  0.53728200  1
  Li  Li2  1  0.38541800  0.78290800  0.45143100  1
  Li  Li3  1  0.84983600  0.41216200  0.04627400  1
  Li  Li4  1  0.64911700  0.88963800  0.95502700  1
  Li  Li5  1  0.91956800  0.09978000  0.02613500  1
  Li  Li6  1  0.84126500  0.41963500  0.53070900  1
  Li  Li7  1  0.88407600  0.71742500  0.45362500  1
  Fe  Fe8  1  0.20451800  0.08401800  0.32259000  1
  Fe  Fe9  1  0.24654500  0.79181100  0.16796600  1
  Fe  Fe10  1  0.24509500  0.27988100  0.82681200  1
  Fe  Fe11  1  0.29237300  0.57252600  0.67292100  1
  Fe  Fe12  1  0.70209100  0.41687700  0.32655300  1
  Fe  Fe13  1  0.74871100  0.71138800  0.17078000  1
  Fe  Fe14  1  0.74399400  0.22100500  0.82574400  1
  Fe  Fe15  1  0.79345700  0.92788300  0.66945500  1
  P  P16  1  0.02054400  0.55064100  0.25095000  1
  P  P17  1  0.11538600  0.29199300  0.11516400  1
  P  P18  1  0.06563000  0.08286800  0.76029300  1
  P  P19  1  0.12254100  0.85366500  0.58246700  1
  P  P20  1  0.37526500  0.35923500  0.42512500  1
  P  P21  1  0.43374500  0.57880200  0.23474000  1
  P  P22  1  0.52154600  0.94923400  0.24875100  1
  P  P23  1  0.38566400  0.78635200  0.88232900  1
  P  P24  1  0.61100500  0.20981200  0.11635100  1
  P  P25  1  0.47546800  0.05194900  0.75220000  1
  P  P26  1  0.56582200  0.41745400  0.75983000  1
  P  P27  1  0.62198200  0.64593700  0.58068100  1
  P  P28  1  0.87666100  0.14096400  0.42545200  1
  P  P29  1  0.93202500  0.92124200  0.23678200  1
  P  P30  1  0.89590000  0.71580900  0.88321700  1
  P  P31  1  0.97460000  0.44827400  0.75647900  1
  O  O32  1  0.00907900  0.57387900  0.38533100  1
  O  O33  1  0.03387700  0.14845800  0.42828800  1
  O  O34  1  0.08661400  0.91517400  0.26158500  1
  O  O35  1  0.10609500  0.41053800  0.21699300  1
  O  O36  1  0.10123200  0.65706000  0.16305400  1
  O  O37  1  0.17573400  0.17087700  0.17503600  1
  O  O38  1  0.22050400  0.34140600  0.99872100  1
  O  O39  1  0.03855500  0.74290400  0.90322800  1
  O  O40  1  0.11610400  0.93378200  0.71010000  1
  O  O41  1  0.07779200  0.09959800  0.89283200  1
  O  O42  1  0.12957900  0.45678400  0.78023800  1
  O  O43  1  0.18865000  0.71454000  0.59782800  1
  O  O44  1  0.17312300  0.18480600  0.68750300  1
  O  O45  1  0.21927000  0.93665000  0.48164700  1
  O  O46  1  0.29229700  0.43560700  0.53410600  1
  O  O47  1  0.34447400  0.70126800  0.29608800  1
  O  O48  1  0.31895700  0.21494300  0.40438700  1
  O  O49  1  0.36764200  0.96680100  0.22284300  1
  O  O50  1  0.36611600  0.44264100  0.30186700  1
  O  O51  1  0.42320500  0.57033500  0.10305000  1
  O  O52  1  0.46862700  0.24218200  0.09570000  1
  O  O53  1  0.28182000  0.83266100  0.00053300  1
  O  O54  1  0.32606000  0.66898700  0.81635600  1
  O  O55  1  0.39088100  0.91200700  0.78471000  1
  O  O56  1  0.41081200  0.40960600  0.73941500  1
  O  O57  1  0.39777500  0.15830900  0.84402200  1
  O  O58  1  0.46959400  0.65849600  0.56330400  1
  O  O59  1  0.52458400  0.91237100  0.37864300  1
  O  O60  1  0.47829500  0.07993800  0.62033300  1
  O  O61  1  0.53352600  0.34922000  0.42692300  1
  O  O62  1  0.60585600  0.85180200  0.14920500  1
  O  O63  1  0.58934100  0.58628200  0.26068200  1
  O  O64  1  0.60168800  0.09367000  0.22085300  1
  O  O65  1  0.68902800  0.32843300  0.16859500  1
  O  O66  1  0.71561500  0.15168500  0.99947000  1
  O  O67  1  0.53051400  0.76607000  0.90525800  1
  O  O68  1  0.58163000  0.40260400  0.89208400  1
  O  O69  1  0.62050000  0.56486100  0.70751100  1
  O  O70  1  0.62941100  0.03596600  0.78329100  1
  O  O71  1  0.69149200  0.78317400  0.59676600  1
  O  O72  1  0.67070700  0.31123100  0.68852700  1
  O  O73  1  0.71726900  0.56252400  0.47857500  1
  O  O74  1  0.79223800  0.06498900  0.53451900  1
  O  O75  1  0.84293100  0.79847200  0.29904400  1
  O  O76  1  0.81978000  0.28540800  0.40385300  1
  O  O77  1  0.86892000  0.53005400  0.21509600  1
  O  O78  1  0.91506500  0.92782600  0.10590900  1
  O  O79  1  0.86394400  0.05810200  0.30248300  1
  O  O80  1  0.97003900  0.27020800  0.09014800  1
  O  O81  1  0.79240600  0.65943500  0.00227100  1
  O  O82  1  0.81635500  0.83260200  0.82773200  1
  O  O83  1  0.88904600  0.35315900  0.85835000  1
  O  O84  1  0.89869000  0.59449400  0.78137100  1
  O  O85  1  0.90934700  0.09393800  0.74035400  1
  O  O86  1  0.96935000  0.84215800  0.56507300  1
  O  O87  1  0.96694600  0.40814300  0.62925200  1
