# generated using pymatgen
data_LiFeP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31076900
_cell_length_b   7.79189860
_cell_length_c   10.12000271
_cell_angle_alpha   83.80406918
_cell_angle_beta   74.28428668
_cell_angle_gamma   76.81672002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP3H8O13
_chemical_formula_sum   'Li2 Fe2 P6 H16 O26'
_cell_volume   539.65273937
_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  0.80384300  0.81429800  0.76357400  1
  Li  Li1  1  0.19615700  0.18570200  0.23642600  1
  Fe  Fe2  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe3  1  0.00000000  0.50000000  0.50000000  1
  P  P4  1  0.33023400  0.80674800  0.74492500  1
  P  P5  1  0.24286500  0.80447400  0.47724300  1
  P  P6  1  0.59218700  0.45731800  0.72871400  1
  P  P7  1  0.40781300  0.54268200  0.27128600  1
  P  P8  1  0.75713500  0.19552600  0.52275700  1
  P  P9  1  0.66976600  0.19325200  0.25507500  1
  H  H10  1  0.36700500  0.96716300  0.96019000  1
  H  H11  1  0.81397700  0.82098000  0.43013200  1
  H  H12  1  0.31164500  0.86485600  0.10163900  1
  H  H13  1  0.92450200  0.73970900  0.20540100  1
  H  H14  1  0.69044400  0.69795100  0.39833000  1
  H  H15  1  0.85278800  0.65387900  0.00756300  1
  H  H16  1  0.65243100  0.62133600  0.00510500  1
  H  H17  1  0.09809400  0.64662500  0.08688600  1
  H  H18  1  0.90190600  0.35337500  0.91311400  1
  H  H19  1  0.34756900  0.37866400  0.99489500  1
  H  H20  1  0.14721200  0.34612100  0.99243700  1
  H  H21  1  0.30955600  0.30204900  0.60167000  1
  H  H22  1  0.07549800  0.26029100  0.79459900  1
  H  H23  1  0.68835500  0.13514400  0.89836100  1
  H  H24  1  0.18602300  0.17902000  0.56986800  1
  H  H25  1  0.63299500  0.03283700  0.03981000  1
  O  O26  1  0.47485400  0.88014200  0.78857900  1
  O  O27  1  0.27223900  0.97943100  0.05165000  1
  O  O28  1  0.19181000  0.95849200  0.38547300  1
  O  O29  1  0.35310000  0.85833900  0.58110200  1
  O  O30  1  0.11792400  0.85536600  0.81892500  1
  O  O31  1  0.98243700  0.74426000  0.10462600  1
  O  O32  1  0.82419800  0.71441600  0.38300000  1
  O  O33  1  0.78663700  0.61291800  0.94751200  1
  O  O34  1  0.75643400  0.55282000  0.66973800  1
  O  O35  1  0.09075000  0.70357900  0.55983800  1
  O  O36  1  0.42643000  0.65780600  0.39198900  1
  O  O37  1  0.38485400  0.59233200  0.74781300  1
  O  O38  1  0.41162000  0.65402500  0.14111000  1
  O  O39  1  0.58838000  0.34597500  0.85889000  1
  O  O40  1  0.61514600  0.40766800  0.25218700  1
  O  O41  1  0.57357000  0.34219400  0.60801100  1
  O  O42  1  0.90925000  0.29642100  0.44016200  1
  O  O43  1  0.24356600  0.44718000  0.33026200  1
  O  O44  1  0.21336300  0.38708200  0.05248800  1
  O  O45  1  0.17580200  0.28558400  0.61700000  1
  O  O46  1  0.01756300  0.25574000  0.89537400  1
  O  O47  1  0.88207600  0.14463400  0.18107500  1
  O  O48  1  0.64690000  0.14166100  0.41889800  1
  O  O49  1  0.80819000  0.04150800  0.61452700  1
  O  O50  1  0.72776100  0.02056900  0.94835000  1
  O  O51  1  0.52514600  0.11985800  0.21142100  1
