# generated using pymatgen
data_LiFeP3H8O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.12298600
_cell_length_b   7.69420157
_cell_length_c   9.96493291
_cell_angle_alpha   84.02858480
_cell_angle_beta   74.10428792
_cell_angle_gamma   78.34659208
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP3H8O13
_chemical_formula_sum   'Li2 Fe2 P6 H16 O26'
_cell_volume   513.73671681
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Fe  Fe2  1  0.81489900  0.80763900  0.76218300  1
  Fe  Fe3  1  0.18510100  0.19236100  0.23781700  1
  P  P4  1  0.32752900  0.80560900  0.74290600  1
  P  P5  1  0.23818700  0.80551000  0.47788200  1
  P  P6  1  0.59555700  0.46215200  0.73094400  1
  P  P7  1  0.40444300  0.53784800  0.26905600  1
  P  P8  1  0.76181300  0.19449000  0.52211800  1
  P  P9  1  0.67247100  0.19439100  0.25709400  1
  H  H10  1  0.35926500  0.98242100  0.96756600  1
  H  H11  1  0.81888800  0.81805500  0.43046000  1
  H  H12  1  0.30895200  0.86380600  0.10352700  1
  H  H13  1  0.92027700  0.74127100  0.20509700  1
  H  H14  1  0.69034900  0.69428500  0.39872100  1
  H  H15  1  0.85716900  0.66297200  0.00946500  1
  H  H16  1  0.64992000  0.62551200  0.00346300  1
  H  H17  1  0.09980600  0.65985400  0.08416400  1
  H  H18  1  0.90019400  0.34014600  0.91583600  1
  H  H19  1  0.35008000  0.37448800  0.99653700  1
  H  H20  1  0.14283100  0.33702800  0.99053500  1
  H  H21  1  0.30965100  0.30571500  0.60127900  1
  H  H22  1  0.07972300  0.25872900  0.79490300  1
  H  H23  1  0.69104800  0.13619400  0.89647300  1
  H  H24  1  0.18111200  0.18194500  0.56954000  1
  H  H25  1  0.64073500  0.01757900  0.03243400  1
  O  O26  1  0.47786100  0.87801000  0.79098800  1
  O  O27  1  0.27053000  0.98569500  0.06322700  1
  O  O28  1  0.19251100  0.96024100  0.38112800  1
  O  O29  1  0.36301000  0.86027900  0.57597100  1
  O  O30  1  0.11144700  0.85399200  0.81382800  1
  O  O31  1  0.97604300  0.74752300  0.10154000  1
  O  O32  1  0.82702500  0.71368400  0.37968400  1
  O  O33  1  0.78696200  0.62632200  0.94498200  1
  O  O34  1  0.76171900  0.56484200  0.67441800  1
  O  O35  1  0.07581500  0.71251500  0.56521100  1
  O  O36  1  0.41552300  0.65507000  0.39307900  1
  O  O37  1  0.38163900  0.58966100  0.74622800  1
  O  O38  1  0.41333300  0.65158800  0.13642900  1
  O  O39  1  0.58666700  0.34841200  0.86357100  1
  O  O40  1  0.61836100  0.41033900  0.25377200  1
  O  O41  1  0.58447700  0.34493000  0.60692100  1
  O  O42  1  0.92418500  0.28748500  0.43478900  1
  O  O43  1  0.23828100  0.43515800  0.32558200  1
  O  O44  1  0.21303800  0.37367800  0.05501800  1
  O  O45  1  0.17297500  0.28631600  0.62031600  1
  O  O46  1  0.02395700  0.25247700  0.89846000  1
  O  O47  1  0.88855300  0.14600800  0.18617200  1
  O  O48  1  0.63699000  0.13972100  0.42402900  1
  O  O49  1  0.80748900  0.03975900  0.61887200  1
  O  O50  1  0.72947000  0.01430500  0.93677300  1
  O  O51  1  0.52213900  0.12199000  0.20901200  1
