# generated using pymatgen
data_LiFeP2H5O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51819400
_cell_length_b   7.81374000
_cell_length_c   15.04533800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2H5O9
_chemical_formula_sum   'Li4 Fe4 P8 H20 O36'
_cell_volume   766.28122891
_cell_formula_units_Z   4
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  0.74366000  0.72887100  0.52924500  1
  Li  Li1  1  0.24366000  0.22887100  0.97075500  1
  Li  Li2  1  0.75634000  0.72887100  0.02924500  1
  Li  Li3  1  0.25634000  0.22887100  0.47075500  1
  Fe  Fe4  1  0.43828700  0.25480500  0.68964800  1
  Fe  Fe5  1  0.93828700  0.75480500  0.81035200  1
  Fe  Fe6  1  0.06171300  0.25480500  0.18964800  1
  Fe  Fe7  1  0.56171300  0.75480500  0.31035200  1
  P  P8  1  0.14353200  0.93616700  0.63179100  1
  P  P9  1  0.13072500  0.56430300  0.63558100  1
  P  P10  1  0.64353200  0.43616700  0.86820900  1
  P  P11  1  0.63072500  0.06430300  0.86441900  1
  P  P12  1  0.35646800  0.93616700  0.13179100  1
  P  P13  1  0.36927500  0.56430300  0.13558100  1
  P  P14  1  0.85646800  0.43616700  0.36820900  1
  P  P15  1  0.86927500  0.06430300  0.36441900  1
  H  H16  1  0.99349300  0.99217100  0.50561400  1
  H  H17  1  0.78433400  0.35556100  0.59434400  1
  H  H18  1  0.77923900  0.15133100  0.59281700  1
  H  H19  1  0.60695900  0.85668300  0.71887400  1
  H  H20  1  0.60731300  0.64957700  0.72180000  1
  H  H21  1  0.10695900  0.35668300  0.78112600  1
  H  H22  1  0.10731300  0.14957700  0.77820000  1
  H  H23  1  0.28433400  0.85556100  0.90565600  1
  H  H24  1  0.27923900  0.65133100  0.90718300  1
  H  H25  1  0.49349300  0.49217100  0.99438600  1
  H  H26  1  0.50650700  0.99217100  0.00561400  1
  H  H27  1  0.71566600  0.35556100  0.09434400  1
  H  H28  1  0.72076100  0.15133100  0.09281700  1
  H  H29  1  0.89304100  0.85668300  0.21887400  1
  H  H30  1  0.89268700  0.64957700  0.22180000  1
  H  H31  1  0.39304100  0.35668300  0.28112600  1
  H  H32  1  0.39268700  0.14957700  0.27820000  1
  H  H33  1  0.21566600  0.85556100  0.40565600  1
  H  H34  1  0.22076100  0.65133100  0.40718300  1
  H  H35  1  0.00650700  0.49217100  0.49438600  1
  O  O36  1  0.94407800  0.94566700  0.56992300  1
  O  O37  1  0.93796100  0.55410200  0.57471700  1
  O  O38  1  0.69405200  0.25446800  0.59828700  1
  O  O39  1  0.24003200  0.74836000  0.61204400  1
  O  O40  1  0.28571700  0.42898200  0.60789900  1
  O  O41  1  0.29855000  0.06671000  0.59943200  1
  O  O42  1  0.68644200  0.75239800  0.70414100  1
  O  O43  1  0.07824200  0.94538600  0.72815700  1
  O  O44  1  0.07620200  0.56502200  0.73385900  1
  O  O45  1  0.57824200  0.44538600  0.77184300  1
  O  O46  1  0.57620200  0.06502200  0.76614100  1
  O  O47  1  0.18644200  0.25239800  0.79585900  1
  O  O48  1  0.78571700  0.92898200  0.89210100  1
  O  O49  1  0.79855000  0.56671000  0.90056800  1
  O  O50  1  0.74003200  0.24836000  0.88795600  1
  O  O51  1  0.19405200  0.75446800  0.90171300  1
  O  O52  1  0.44407800  0.44566700  0.93007700  1
  O  O53  1  0.43796100  0.05410200  0.92528300  1
  O  O54  1  0.55592200  0.94566700  0.06992300  1
  O  O55  1  0.56203900  0.55410200  0.07471700  1
  O  O56  1  0.80594800  0.25446800  0.09828700  1
  O  O57  1  0.25996800  0.74836000  0.11204400  1
  O  O58  1  0.21428300  0.42898200  0.10789900  1
  O  O59  1  0.20145000  0.06671000  0.09943200  1
  O  O60  1  0.81355800  0.75239800  0.20414100  1
  O  O61  1  0.42175800  0.94538600  0.22815700  1
  O  O62  1  0.42379800  0.56502200  0.23385900  1
  O  O63  1  0.92175800  0.44538600  0.27184300  1
  O  O64  1  0.92379800  0.06502200  0.26614100  1
  O  O65  1  0.31355800  0.25239800  0.29585900  1
  O  O66  1  0.71428300  0.92898200  0.39210100  1
  O  O67  1  0.70145000  0.56671000  0.40056800  1
  O  O68  1  0.75996800  0.24836000  0.38795600  1
  O  O69  1  0.30594800  0.75446800  0.40171300  1
  O  O70  1  0.05592200  0.44566700  0.43007700  1
  O  O71  1  0.06203900  0.05410200  0.42528300  1
