# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.70418800
_cell_length_b   9.70751544
_cell_length_c   11.09988243
_cell_angle_alpha   89.81947935
_cell_angle_beta   78.15618155
_cell_angle_gamma   89.93936070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li8 Fe8 P16 O56'
_cell_volume   1023.38209963
_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  0.17186900  0.57563800  0.45800700  1
  Li  Li1  1  0.41418600  0.40264000  0.02578300  1
  Li  Li2  1  0.35077900  0.06504500  0.52772100  1
  Li  Li3  1  0.84858700  0.41496100  0.04313500  1
  Li  Li4  1  0.64810500  0.89861500  0.95688800  1
  Li  Li5  1  0.91772500  0.09950100  0.02719200  1
  Li  Li6  1  0.82684100  0.41442400  0.54328800  1
  Li  Li7  1  0.87808100  0.72130200  0.45092800  1
  Fe  Fe8  1  0.20322800  0.07969400  0.32550100  1
  Fe  Fe9  1  0.25034200  0.79184900  0.17133000  1
  Fe  Fe10  1  0.24616100  0.28258700  0.82438500  1
  Fe  Fe11  1  0.29735500  0.58173800  0.67844300  1
  Fe  Fe12  1  0.69963200  0.41740800  0.32800200  1
  Fe  Fe13  1  0.74634400  0.71299200  0.17321700  1
  Fe  Fe14  1  0.74599500  0.21636900  0.82271500  1
  Fe  Fe15  1  0.79317400  0.92645200  0.66838400  1
  P  P16  1  0.02347100  0.55102600  0.24561200  1
  P  P17  1  0.11710400  0.28981700  0.11359400  1
  P  P18  1  0.06532300  0.07787500  0.75993700  1
  P  P19  1  0.12151300  0.85298700  0.57762400  1
  P  P20  1  0.37720100  0.35349900  0.42417700  1
  P  P21  1  0.43417300  0.57617900  0.23663100  1
  P  P22  1  0.52167300  0.94809800  0.25454400  1
  P  P23  1  0.38471700  0.79061500  0.88772400  1
  P  P24  1  0.61198100  0.20891100  0.11459400  1
  P  P25  1  0.47415300  0.05379500  0.75330600  1
  P  P26  1  0.56542400  0.42202900  0.75999000  1
  P  P27  1  0.61968400  0.64810700  0.57892300  1
  P  P28  1  0.87716900  0.14414100  0.42534900  1
  P  P29  1  0.93405400  0.92336000  0.23677700  1
  P  P30  1  0.89209800  0.71433700  0.88714800  1
  P  P31  1  0.97678100  0.45103000  0.75266000  1
  O  O32  1  0.01655200  0.58096400  0.38014900  1
  O  O33  1  0.03338900  0.15418000  0.42939100  1
  O  O34  1  0.08650800  0.91305900  0.26474300  1
  O  O35  1  0.10414100  0.40738900  0.21911100  1
  O  O36  1  0.10749800  0.65443300  0.15620200  1
  O  O37  1  0.17621900  0.16824700  0.17441500  1
  O  O38  1  0.22334700  0.34324500  0.99843600  1
  O  O39  1  0.03332400  0.73792400  0.91102300  1
  O  O40  1  0.11696800  0.92851600  0.70710500  1
  O  O41  1  0.07183900  0.08820700  0.89331800  1
  O  O42  1  0.13028300  0.45872000  0.77829300  1
  O  O43  1  0.17986800  0.70833700  0.59313400  1
  O  O44  1  0.17233400  0.18313800  0.68994200  1
  O  O45  1  0.21198700  0.94088500  0.47791300  1
  O  O46  1  0.28594300  0.44000900  0.52357600  1
  O  O47  1  0.32872100  0.68498900  0.30274100  1
  O  O48  1  0.32157000  0.20804700  0.40679900  1
  O  O49  1  0.36837100  0.96170100  0.22521800  1
  O  O50  1  0.37605800  0.42960200  0.29452900  1
  O  O51  1  0.43175800  0.57436300  0.10292700  1
  O  O52  1  0.47198600  0.23706800  0.08781100  1
  O  O53  1  0.27922900  0.84148000  0.00372100  1
  O  O54  1  0.32491300  0.66901400  0.82578900  1
  O  O55  1  0.39445600  0.90980900  0.78234700  1
  O  O56  1  0.41235500  0.41115600  0.73476600  1
  O  O57  1  0.39110400  0.15567600  0.84746200  1
  O  O58  1  0.46735200  0.65407900  0.56713900  1
  O  O59  1  0.52505300  0.91477200  0.38299700  1
  O  O60  1  0.47978000  0.08843000  0.62240200  1
  O  O61  1  0.53249300  0.34753900  0.43407300  1
  O  O62  1  0.60898300  0.85395400  0.15101800  1
  O  O63  1  0.58736200  0.58790000  0.26582400  1
  O  O64  1  0.59958000  0.09588900  0.22156000  1
  O  O65  1  0.68647400  0.33076600  0.16731300  1
  O  O66  1  0.72032000  0.15051100  0.99858800  1
  O  O67  1  0.52805600  0.77084200  0.91239200  1
  O  O68  1  0.57507100  0.40970300  0.89292600  1
  O  O69  1  0.62300700  0.56886300  0.70689300  1
  O  O70  1  0.62786400  0.03801700  0.78465600  1
  O  O71  1  0.68925300  0.78685600  0.59264100  1
  O  O72  1  0.67329800  0.31604600  0.68941100  1
  O  O73  1  0.71785200  0.56400700  0.47723100  1
  O  O74  1  0.79070900  0.06488500  0.53233700  1
  O  O75  1  0.84096600  0.80259800  0.29997000  1
  O  O76  1  0.81867000  0.28928700  0.40588700  1
  O  O77  1  0.87075700  0.53206100  0.21714500  1
  O  O78  1  0.92156300  0.92805200  0.10524000  1
  O  O79  1  0.86945000  0.06387200  0.29969700  1
  O  O80  1  0.97310300  0.27190000  0.08625900  1
  O  O81  1  0.78648900  0.65393200  0.00456400  1
  O  O82  1  0.81639900  0.83383800  0.83128900  1
  O  O83  1  0.88871300  0.35222700  0.85121000  1
  O  O84  1  0.89928000  0.59626500  0.78110000  1
  O  O85  1  0.91073600  0.09104400  0.73552000  1
  O  O86  1  0.96713500  0.84072100  0.56310000  1
  O  O87  1  0.97422100  0.41854900  0.62208400  1
