# generated using pymatgen
data_Li2FeP4(H4O5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.66736900
_cell_length_b   7.12821400
_cell_length_c   12.05782769
_cell_angle_alpha   63.87587282
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2FeP4(H4O5)4
_chemical_formula_sum   'Li4 Fe2 P8 H32 O40'
_cell_volume   823.20339630
_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  0.33932500  0.70057800  0.04727300  1
  Li  Li1  1  0.83932500  0.29942200  0.45272700  1
  Li  Li2  1  0.16067500  0.70057800  0.54727300  1
  Li  Li3  1  0.66067500  0.29942200  0.95272700  1
  Fe  Fe4  1  0.00000000  0.00000000  0.00000000  1
  Fe  Fe5  1  0.50000000  0.00000000  0.50000000  1
  P  P6  1  0.04401000  0.53750000  0.22321400  1
  P  P7  1  0.54401000  0.46250000  0.27678600  1
  P  P8  1  0.23871700  0.17992100  0.58348700  1
  P  P9  1  0.73871700  0.82007900  0.91651300  1
  P  P10  1  0.26128300  0.17992100  0.08348700  1
  P  P11  1  0.76128300  0.82007900  0.41651300  1
  P  P12  1  0.45599000  0.53750000  0.72321400  1
  P  P13  1  0.95599000  0.46250000  0.77678600  1
  H  H14  1  0.70846800  0.64504000  0.28841100  1
  H  H15  1  0.41190500  0.40592400  0.42570900  1
  H  H16  1  0.10380000  0.39965100  0.44467200  1
  H  H17  1  0.59450900  0.24396200  0.60176900  1
  H  H18  1  0.96287300  0.17837500  0.68320700  1
  H  H19  1  0.56514000  0.98313100  0.90011200  1
  H  H20  1  0.60380000  0.60034900  0.05532800  1
  H  H21  1  0.91190500  0.59407600  0.07429100  1
  H  H22  1  0.17040000  0.96774100  0.84281600  1
  H  H23  1  0.37692400  0.99588900  0.81454900  1
  H  H24  1  0.87692400  0.00411100  0.68545100  1
  H  H25  1  0.20846800  0.35496000  0.21158900  1
  H  H26  1  0.67040000  0.03225900  0.65718400  1
  H  H27  1  0.06514000  0.01686900  0.59988800  1
  H  H28  1  0.46287300  0.82162500  0.81679300  1
  H  H29  1  0.09450900  0.75603800  0.89823100  1
  H  H30  1  0.90549100  0.24396200  0.10176900  1
  H  H31  1  0.53712700  0.17837500  0.18320700  1
  H  H32  1  0.93486000  0.98313100  0.40011200  1
  H  H33  1  0.32960000  0.96774100  0.34281600  1
  H  H34  1  0.79153200  0.64504000  0.78841100  1
  H  H35  1  0.12307600  0.99588900  0.31454900  1
  H  H36  1  0.62307600  0.00411100  0.18545100  1
  H  H37  1  0.82960000  0.03225900  0.15718400  1
  H  H38  1  0.08809500  0.40592400  0.92570900  1
  H  H39  1  0.39620000  0.39965100  0.94467200  1
  H  H40  1  0.43486000  0.01686900  0.09988800  1
  H  H41  1  0.03712700  0.82162500  0.31679300  1
  H  H42  1  0.40549100  0.75603800  0.39823100  1
  H  H43  1  0.89620000  0.60034900  0.55532800  1
  H  H44  1  0.58809500  0.59407600  0.57429100  1
  H  H45  1  0.29153200  0.35496000  0.71158900  1
  O  O46  1  0.02796600  0.77063800  0.18477600  1
  O  O47  1  0.45723900  0.53341400  0.35935300  1
  O  O48  1  0.16570700  0.39307600  0.51611800  1
  O  O49  1  0.68604200  0.49405000  0.30610500  1
  O  O50  1  0.51328000  0.60244500  0.14172100  1
  O  O51  1  0.25762900  0.13963600  0.71815000  1
  O  O52  1  0.01328000  0.39755500  0.35827900  1
  O  O53  1  0.65550600  0.00022800  0.92361500  1
  O  O54  1  0.18604200  0.50595000  0.19389500  1
  O  O55  1  0.95723900  0.46658600  0.14064700  1
  O  O56  1  0.93751100  0.11068000  0.62980600  1
  O  O57  1  0.63615200  0.14310000  0.57850700  1
  O  O58  1  0.36150800  0.19363600  0.51553900  1
  O  O59  1  0.86150800  0.80636400  0.98446100  1
  O  O60  1  0.13615200  0.85690000  0.92149300  1
  O  O61  1  0.43751100  0.88932000  0.87019400  1
  O  O62  1  0.52796600  0.22936200  0.31522400  1
  O  O63  1  0.15550600  0.99977200  0.57638500  1
  O  O64  1  0.75762900  0.86036400  0.78185000  1
  O  O65  1  0.33429300  0.39307600  0.01611800  1
  O  O66  1  0.66570700  0.60692400  0.98388200  1
  O  O67  1  0.24237100  0.13963600  0.21815000  1
  O  O68  1  0.84449400  0.00022800  0.42361500  1
  O  O69  1  0.47203400  0.77063800  0.68477600  1
  O  O70  1  0.56248900  0.11068000  0.12980600  1
  O  O71  1  0.86384800  0.14310000  0.07850700  1
  O  O72  1  0.13849200  0.19363600  0.01553900  1
  O  O73  1  0.63849200  0.80636400  0.48446100  1
  O  O74  1  0.36384800  0.85690000  0.42149300  1
  O  O75  1  0.06248900  0.88932000  0.37019400  1
  O  O76  1  0.04276100  0.53341400  0.85935300  1
  O  O77  1  0.81395800  0.49405000  0.80610500  1
  O  O78  1  0.34449400  0.99977200  0.07638500  1
  O  O79  1  0.98672000  0.60244500  0.64172100  1
  O  O80  1  0.74237100  0.86036400  0.28185000  1
  O  O81  1  0.48672000  0.39755500  0.85827900  1
  O  O82  1  0.31395800  0.50595000  0.69389500  1
  O  O83  1  0.83429300  0.60692400  0.48388200  1
  O  O84  1  0.54276100  0.46658600  0.64064700  1
  O  O85  1  0.97203400  0.22936200  0.81522400  1
