# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.69259600
_cell_length_b   9.74538908
_cell_length_c   11.21361600
_cell_angle_alpha   90.07755802
_cell_angle_beta   101.65772335
_cell_angle_gamma   90.08242740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li8 Fe8 P16 O56'
_cell_volume   1037.36519618
_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  0.83597900  0.42971000  0.46701100  1
  Li  Li1  1  0.58255100  0.59725500  0.02031200  1
  Li  Li2  1  0.66077800  0.92357800  0.53391700  1
  Li  Li3  1  0.37886500  0.04515800  0.49838200  1
  Li  Li4  1  0.34582600  0.12515100  0.96430800  1
  Li  Li5  1  0.08055200  0.90288500  0.02335200  1
  Li  Li6  1  0.17614900  0.59297100  0.54516600  1
  Li  Li7  1  0.11831500  0.28795100  0.45382100  1
  Fe  Fe8  1  0.79631100  0.91721400  0.32524900  1
  Fe  Fe9  1  0.75501100  0.21079200  0.17121900  1
  Fe  Fe10  1  0.76194800  0.72189600  0.82771400  1
  Fe  Fe11  1  0.70036200  0.42042700  0.67829300  1
  Fe  Fe12  1  0.29633900  0.58574100  0.31980200  1
  Fe  Fe13  1  0.25164800  0.28871300  0.17410000  1
  Fe  Fe14  1  0.26110000  0.77201400  0.83070100  1
  Fe  Fe15  1  0.19752800  0.07364500  0.67741500  1
  P  P16  1  0.98130700  0.44704600  0.24591600  1
  P  P17  1  0.88595200  0.71280500  0.11656500  1
  P  P18  1  0.93151100  0.91861200  0.75539500  1
  P  P19  1  0.87520400  0.14648100  0.57963300  1
  P  P20  1  0.62127000  0.64241300  0.42176900  1
  P  P21  1  0.56876500  0.42228500  0.23367200  1
  P  P22  1  0.48270200  0.05271300  0.24863700  1
  P  P23  1  0.61292700  0.21166100  0.88602300  1
  P  P24  1  0.38860000  0.78905400  0.11559000  1
  P  P25  1  0.51998400  0.95129700  0.74970500  1
  P  P26  1  0.43047200  0.58290600  0.75505000  1
  P  P27  1  0.37652800  0.35345200  0.58511200  1
  P  P28  1  0.12295800  0.85737900  0.42234900  1
  P  P29  1  0.07066400  0.07758400  0.23754700  1
  P  P30  1  0.10068000  0.28317200  0.88632500  1
  P  P31  1  0.01944100  0.54723600  0.74875800  1
  O  O32  1  0.97929600  0.42047300  0.37844500  1
  O  O33  1  0.96816200  0.84918000  0.42992700  1
  O  O34  1  0.91619400  0.08315100  0.26019600  1
  O  O35  1  0.89704500  0.58561400  0.21171900  1
  O  O36  1  0.90675500  0.33772400  0.15803700  1
  O  O37  1  0.81186600  0.82146400  0.18080700  1
  O  O38  1  0.78288200  0.66394800  0.99754800  1
  O  O39  1  0.95599900  0.25168100  0.89836100  1
  O  O40  1  0.87836900  0.06856700  0.70738300  1
  O  O41  1  0.91900400  0.89830900  0.88702500  1
  O  O42  1  0.86525800  0.54124700  0.77413400  1
  O  O43  1  0.81651400  0.29023800  0.59478100  1
  O  O44  1  0.82471200  0.81530100  0.68325500  1
  O  O45  1  0.78783500  0.05803300  0.48051600  1
  O  O46  1  0.70982100  0.55850000  0.52367900  1
  O  O47  1  0.67010100  0.30953700  0.29759900  1
  O  O48  1  0.67652600  0.78874800  0.40658700  1
  O  O49  1  0.63675700  0.03779200  0.22632300  1
  O  O50  1  0.63072300  0.56495600  0.29633000  1
  O  O51  1  0.57725600  0.42728000  0.10198500  1
  O  O52  1  0.52996900  0.75330500  0.09567700  1
  O  O53  1  0.71153300  0.16515900  0.00532100  1
  O  O54  1  0.67736400  0.32796400  0.82289100  1
  O  O55  1  0.61146600  0.08489100  0.79109300  1
  O  O56  1  0.58585000  0.58567300  0.73832300  1
  O  O57  1  0.59754000  0.83564700  0.82784300  1
  O  O58  1  0.52873500  0.34694000  0.57188900  1
  O  O59  1  0.47556800  0.08091500  0.37793700  1
  O  O60  1  0.51175800  0.94098500  0.61460500  1
  O  O61  1  0.46522400  0.64808300  0.42911700  1
  O  O62  1  0.40140900  0.15409100  0.15252100  1
  O  O63  1  0.41490500  0.41254200  0.26077800  1
  O  O64  1  0.40122600  0.91030300  0.21493400  1
  O  O65  1  0.31158900  0.67705700  0.17397500  1
  O  O66  1  0.28597000  0.84662900  0.99814400  1
  O  O67  1  0.46552700  0.23465000  0.89984400  1
  O  O68  1  0.41250600  0.60901700  0.88562200  1
  O  O69  1  0.37230500  0.43264600  0.71187400  1
  O  O70  1  0.36786900  0.96258200  0.78102000  1
  O  O71  1  0.31436400  0.20841000  0.59710700  1
  O  O72  1  0.32589400  0.68674200  0.68044100  1
  O  O73  1  0.27743200  0.43342600  0.48495200  1
  O  O74  1  0.21099700  0.94220200  0.52589300  1
  O  O75  1  0.16304600  0.19594200  0.30558900  1
  O  O76  1  0.18159800  0.71315600  0.40627500  1
  O  O77  1  0.13707200  0.46343800  0.22657600  1
  O  O78  1  0.09124100  0.07679700  0.10851200  1
  O  O79  1  0.13438800  0.93649900  0.29853400  1
  O  O80  1  0.02925500  0.74811500  0.10018700  1
  O  O81  1  0.20685800  0.32423300  0.00593400  1
  O  O82  1  0.18048000  0.16866600  0.82735500  1
  O  O83  1  0.09850400  0.66011400  0.83310800  1
  O  O84  1  0.10417700  0.41007800  0.79397700  1
  O  O85  1  0.08712800  0.91147000  0.73544700  1
  O  O86  1  0.03119100  0.16119900  0.56719500  1
  O  O87  1  0.02206600  0.55920200  0.61616800  1
