# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73130000
_cell_length_b   9.80888894
_cell_length_c   11.14129033
_cell_angle_alpha   89.63173869
_cell_angle_beta   78.49059037
_cell_angle_gamma   89.66672205
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li8 Fe8 P16 O56'
_cell_volume   1042.05523398
_cell_formula_units_Z   8
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  0.09037200  0.89202100  0.97300700  1
  Li  Li1  1  0.40511500  0.39279000  0.02930100  1
  Li  Li2  1  0.38541300  0.79491300  0.45658100  1
  Li  Li3  1  0.59026700  0.60342200  0.97070900  1
  Li  Li4  1  0.64780300  0.90551800  0.95067700  1
  Li  Li5  1  0.91001000  0.10960700  0.02802400  1
  Li  Li6  1  0.84202900  0.42266200  0.52845300  1
  Li  Li7  1  0.88558900  0.71638200  0.45275200  1
  Fe  Fe8  1  0.21064400  0.08699000  0.33525700  1
  Fe  Fe9  1  0.24765900  0.79677800  0.17603600  1
  Fe  Fe10  1  0.25234000  0.29018700  0.82546000  1
  Fe  Fe11  1  0.29033000  0.57457500  0.66829900  1
  Fe  Fe12  1  0.70408600  0.41011000  0.32149500  1
  Fe  Fe13  1  0.75034800  0.70441800  0.17665600  1
  Fe  Fe14  1  0.75317300  0.21162400  0.82372200  1
  Fe  Fe15  1  0.78997100  0.92820400  0.66441300  1
  P  P16  1  0.02308000  0.55353600  0.24936900  1
  P  P17  1  0.11531700  0.28789000  0.11844400  1
  P  P18  1  0.06101300  0.07765200  0.76211000  1
  P  P19  1  0.12254500  0.85464900  0.57416800  1
  P  P20  1  0.37791300  0.35583900  0.42840600  1
  P  P21  1  0.43673400  0.57530500  0.23876800  1
  P  P22  1  0.52657400  0.94307300  0.24543200  1
  P  P23  1  0.38290600  0.78919500  0.88105000  1
  P  P24  1  0.61357900  0.20632000  0.11567100  1
  P  P25  1  0.47561300  0.05531800  0.74664300  1
  P  P26  1  0.56143200  0.42396100  0.76250200  1
  P  P27  1  0.62179500  0.64758700  0.57684300  1
  P  P28  1  0.87793100  0.14262600  0.42606100  1
  P  P29  1  0.93654400  0.92600300  0.23812100  1
  P  P30  1  0.88483300  0.71274200  0.88392000  1
  P  P31  1  0.97598700  0.44726100  0.75384200  1
  O  O32  1  0.01627400  0.57870800  0.38294100  1
  O  O33  1  0.03240900  0.14878200  0.43330700  1
  O  O34  1  0.08842000  0.91594400  0.26408900  1
  O  O35  1  0.10381100  0.41332900  0.21393000  1
  O  O36  1  0.10770000  0.66001800  0.16216200  1
  O  O37  1  0.18201900  0.17534100  0.18439700  1
  O  O38  1  0.22108300  0.33588600  0.99992100  1
  O  O39  1  0.02589600  0.73944600  0.90931400  1
  O  O40  1  0.12452300  0.94185100  0.69526300  1
  O  O41  1  0.05938300  0.05931200  0.89634200  1
  O  O42  1  0.12876400  0.46375400  0.77905100  1
  O  O43  1  0.18877500  0.71773200  0.59788900  1
  O  O44  1  0.15630600  0.19678600  0.71085300  1
  O  O45  1  0.21412000  0.92549100  0.46504000  1
  O  O46  1  0.29357400  0.43543500  0.53453300  1
  O  O47  1  0.34581200  0.69765900  0.29444400  1
  O  O48  1  0.32066000  0.21683100  0.40418300  1
  O  O49  1  0.37257900  0.96007300  0.22042300  1
  O  O50  1  0.36925900  0.44133800  0.30326600  1
  O  O51  1  0.43602200  0.56459700  0.10431400  1
  O  O52  1  0.47337100  0.23708800  0.08871500  1
  O  O53  1  0.27645500  0.83552600  0.99945700  1
  O  O54  1  0.32672000  0.67071200  0.81700700  1
  O  O55  1  0.39415000  0.91204700  0.78435000  1
  O  O56  1  0.41105800  0.41142600  0.73465400  1
  O  O57  1  0.39448300  0.15696300  0.84181300  1
  O  O58  1  0.46958100  0.65966400  0.56170100  1
  O  O59  1  0.53426400  0.90043500  0.37225400  1
  O  O60  1  0.47838000  0.08249600  0.61603100  1
  O  O61  1  0.53542200  0.35010300  0.42942000  1
  O  O62  1  0.61433200  0.84961600  0.14402800  1
  O  O63  1  0.59058300  0.58529800  0.26450900  1
  O  O64  1  0.60122700  0.08861500  0.21886300  1
  O  O65  1  0.68459600  0.32162700  0.17312600  1
  O  O66  1  0.71735400  0.14727900  0.99864500  1
  O  O67  1  0.52511000  0.76733300  0.91230300  1
  O  O68  1  0.56305400  0.43195000  0.89708500  1
  O  O69  1  0.62038900  0.56634200  0.70372500  1
  O  O70  1  0.62805000  0.03499800  0.78301600  1
  O  O71  1  0.68883900  0.78461300  0.59556200  1
  O  O72  1  0.66614200  0.31287800  0.70336600  1
  O  O73  1  0.71922500  0.56615500  0.47689100  1
  O  O74  1  0.79005100  0.06542400  0.53285600  1
  O  O75  1  0.84457600  0.80424300  0.29550000  1
  O  O76  1  0.82093900  0.28635200  0.40525100  1
  O  O77  1  0.86943500  0.53928700  0.22002200  1
  O  O78  1  0.93140200  0.93607400  0.10438400  1
  O  O79  1  0.86759000  0.06116400  0.30221900  1
  O  O80  1  0.97376800  0.26009900  0.09312800  1
  O  O81  1  0.77618300  0.66494500  0.00176200  1
  O  O82  1  0.81330500  0.83082700  0.82510000  1
  O  O83  1  0.89314200  0.34319800  0.84624500  1
  O  O84  1  0.89308900  0.59025200  0.78794500  1
  O  O85  1  0.90817900  0.08916400  0.73494300  1
  O  O86  1  0.96700800  0.84013600  0.56612500  1
  O  O87  1  0.97080700  0.42106500  0.62373800  1
