# generated using pymatgen
data_LiFeP3(H7O8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50737700
_cell_length_b   9.01698629
_cell_length_c   10.90160498
_cell_angle_alpha   72.05924654
_cell_angle_beta   79.89314415
_cell_angle_gamma   71.12648650
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP3(H7O8)2
_chemical_formula_sum   'Li2 Fe2 P6 H28 O32'
_cell_volume   661.97918028
_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  0.99020700  0.51305900  0.50843700  1
  Li  Li1  1  0.40932300  0.63761200  0.60995000  1
  Fe  Fe2  1  0.99974800  0.00100400  0.99989400  1
  Fe  Fe3  1  0.58305200  0.37178900  0.40428600  1
  P  P4  1  0.15496100  0.13326100  0.20018000  1
  P  P5  1  0.04031900  0.52973200  0.78713600  1
  P  P6  1  0.29525900  0.22826000  0.92723500  1
  P  P7  1  0.70571300  0.77360400  0.07033000  1
  P  P8  1  0.95502300  0.46782000  0.21254200  1
  P  P9  1  0.84707000  0.86775400  0.79770600  1
  H  H10  1  0.09080100  0.65984700  0.28006500  1
  H  H11  1  0.04816200  0.82373400  0.31646500  1
  H  H12  1  0.28433900  0.26850100  0.39153500  1
  H  H13  1  0.19725600  0.67445500  0.06867400  1
  H  H14  1  0.29904600  0.07920700  0.74890400  1
  H  H15  1  0.32298200  0.22666300  0.53707400  1
  H  H16  1  0.49289300  0.99851000  0.67757000  1
  H  H17  1  0.33970600  0.77506900  0.05887000  1
  H  H18  1  0.41549500  0.39983900  0.18568400  1
  H  H19  1  0.30064800  0.64839000  0.37869400  1
  H  H20  1  0.22100200  0.94794700  0.47401300  1
  H  H21  1  0.62711700  0.31378600  0.13986800  1
  H  H22  1  0.26066200  0.93126500  0.61266600  1
  H  H23  1  0.48346900  0.68736900  0.29747500  1
  H  H24  1  0.51357100  0.31110200  0.68631100  1
  H  H25  1  0.73221400  0.06576400  0.38772700  1
  H  H26  1  0.37708200  0.68706900  0.86088600  1
  H  H27  1  0.77376700  0.05628200  0.52715100  1
  H  H28  1  0.70605300  0.34603800  0.62274600  1
  H  H29  1  0.58537100  0.59782900  0.81599800  1
  H  H30  1  0.65892400  0.22607000  0.94201800  1
  H  H31  1  0.50700600  0.00307500  0.32209600  1
  H  H32  1  0.68103600  0.76585200  0.46621100  1
  H  H33  1  0.70115000  0.92425700  0.25006700  1
  H  H34  1  0.80119800  0.32679000  0.93197800  1
  H  H35  1  0.71912300  0.72630300  0.60944900  1
  H  H36  1  0.95525800  0.17551900  0.68561200  1
  H  H37  1  0.91034600  0.33992000  0.72146800  1
  O  O38  1  0.07579000  0.00892600  0.18209200  1
  O  O39  1  0.24790900  0.10121200  0.32086000  1
  O  O40  1  0.14058700  0.50769400  0.19541200  1
  O  O41  1  0.31027400  0.17743700  0.08116000  1
  O  O42  1  0.07604500  0.70492700  0.35461600  1
  O  O43  1  0.18660800  0.13175600  0.89452300  1
  O  O44  1  0.01344700  0.69905700  0.82014000  1
  O  O45  1  0.14897400  0.52772500  0.65858400  1
  O  O46  1  0.31115200  0.31586300  0.45392600  1
  O  O47  1  0.23734100  0.77036500  0.01338100  1
  O  O48  1  0.35865600  0.05903400  0.66482500  1
  O  O49  1  0.16827900  0.41479400  0.90614200  1
  O  O50  1  0.23204000  0.87063600  0.56055300  1
  O  O51  1  0.54722500  0.36339700  0.20727800  1
  O  O52  1  0.44145600  0.61978800  0.38152200  1
  O  O53  1  0.48949300  0.21774100  0.86183800  1
  O  O54  1  0.51108700  0.78412100  0.13584900  1
  O  O55  1  0.57023900  0.37219500  0.60583100  1
  O  O56  1  0.45384500  0.63684500  0.79362600  1
  O  O57  1  0.76013600  0.13009600  0.43831500  1
  O  O58  1  0.83150100  0.58598800  0.09294300  1
  O  O59  1  0.64269700  0.94792400  0.33332900  1
  O  O60  1  0.76019200  0.23100000  0.98855000  1
  O  O61  1  0.70810300  0.67396300  0.54556300  1
  O  O62  1  0.83943600  0.46568400  0.33996900  1
  O  O63  1  0.98453300  0.30052300  0.17675500  1
  O  O64  1  0.81421000  0.86823900  0.10534200  1
  O  O65  1  0.92810500  0.29413100  0.64686400  1
  O  O66  1  0.69071500  0.82377200  0.91728200  1
  O  O67  1  0.85436400  0.48871800  0.81195100  1
  O  O68  1  0.75206700  0.90604100  0.67698800  1
  O  O69  1  0.92714400  0.99006100  0.81901700  1
