# generated using pymatgen
data_LiFeP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59705500
_cell_length_b   8.62751834
_cell_length_c   9.60052100
_cell_angle_alpha   100.99908459
_cell_angle_beta   91.12552124
_cell_angle_gamma   107.11618101
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP3H8O13
_chemical_formula_sum   'Li2 Fe2 P6 H16 O26'
_cell_volume   588.40716493
_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  0.28597100  0.59824100  0.69120400  1
  Li  Li1  1  0.71402900  0.40175900  0.30879600  1
  Fe  Fe2  1  0.00000000  0.50000000  0.00000000  1
  Fe  Fe3  1  0.50000000  0.00000000  0.50000000  1
  P  P4  1  0.28436200  0.27515300  0.93988400  1
  P  P5  1  0.80225200  0.64450600  0.75732800  1
  P  P6  1  0.98992400  0.00159700  0.77973300  1
  P  P7  1  0.01007600  0.99840300  0.22026700  1
  P  P8  1  0.19774800  0.35549400  0.24267200  1
  P  P9  1  0.71563800  0.72484700  0.06011600  1
  H  H10  1  0.79879400  0.18736900  0.94772100  1
  H  H11  1  0.66145300  0.29577400  0.96407000  1
  H  H12  1  0.46639100  0.09471100  0.77000900  1
  H  H13  1  0.80994400  0.31104400  0.63229600  1
  H  H14  1  0.61113300  0.99470400  0.75375300  1
  H  H15  1  0.24222600  0.13158400  0.58117500  1
  H  H16  1  0.88645500  0.17502000  0.54496700  1
  H  H17  1  0.34456600  0.24717800  0.47442200  1
  H  H18  1  0.65543400  0.75282200  0.52557800  1
  H  H19  1  0.11354500  0.82498000  0.45503300  1
  H  H20  1  0.75777400  0.86841600  0.41882500  1
  H  H21  1  0.38886700  0.00529600  0.24624700  1
  H  H22  1  0.19005600  0.68895600  0.36770400  1
  H  H23  1  0.53360900  0.90528900  0.22999100  1
  H  H24  1  0.33854700  0.70422600  0.03593000  1
  H  H25  1  0.20120600  0.81263100  0.05227900  1
  O  O26  1  0.78056300  0.28982900  0.00684800  1
  O  O27  1  0.14837100  0.08657000  0.91073600  1
  O  O28  1  0.18340500  0.38464200  0.89095100  1
  O  O29  1  0.46572800  0.27623700  0.88156200  1
  O  O30  1  0.81281900  0.03118400  0.82472500  1
  O  O31  1  0.67956200  0.68544800  0.88855300  1
  O  O32  1  0.88672700  0.51102300  0.77766500  1
  O  O33  1  0.05866800  0.04543600  0.64327100  1
  O  O34  1  0.97819500  0.81011900  0.77769100  1
  O  O35  1  0.48583300  0.99122000  0.71488800  1
  O  O36  1  0.67971300  0.61990400  0.62532600  1
  O  O37  1  0.78961900  0.22918200  0.54126900  1
  O  O38  1  0.36339900  0.17790000  0.54145100  1
  O  O39  1  0.63660100  0.82210000  0.45854900  1
  O  O40  1  0.21038100  0.77081800  0.45873100  1
  O  O41  1  0.32028700  0.38009600  0.37467400  1
  O  O42  1  0.51416700  0.00878000  0.28511200  1
  O  O43  1  0.02180500  0.18988100  0.22230900  1
  O  O44  1  0.94133200  0.95456400  0.35672900  1
  O  O45  1  0.11327300  0.48897700  0.22233500  1
  O  O46  1  0.32043800  0.31455200  0.11144700  1
  O  O47  1  0.18718100  0.96881600  0.17527500  1
  O  O48  1  0.53427200  0.72376300  0.11843800  1
  O  O49  1  0.81659500  0.61535800  0.10904900  1
  O  O50  1  0.85162900  0.91343000  0.08926400  1
  O  O51  1  0.21943700  0.71017100  0.99315200  1
