# generated using pymatgen
data_LiFeP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.67233600
_cell_length_b   9.79440869
_cell_length_c   11.19216968
_cell_angle_alpha   90.15974938
_cell_angle_beta   101.42779711
_cell_angle_gamma   90.02143384
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeP2O7
_chemical_formula_sum   'Li8 Fe8 P16 O56'
_cell_volume   1039.26354827
_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  0.59529200  0.60873700  0.02742500  1
  Li  Li1  1  0.66369700  0.91411300  0.53727900  1
  Li  Li2  1  0.61505100  0.21817400  0.45048200  1
  Li  Li3  1  0.40831800  0.39595500  0.96891300  1
  Li  Li4  1  0.34865800  0.10136900  0.95176800  1
  Li  Li5  1  0.08053500  0.90065900  0.02528800  1
  Li  Li6  1  0.15414400  0.57564500  0.52501400  1
  Li  Li7  1  0.11351200  0.28488800  0.45290000  1
  Fe  Fe8  1  0.79362700  0.91106500  0.32195400  1
  Fe  Fe9  1  0.75696300  0.20186200  0.17038000  1
  Fe  Fe10  1  0.75854600  0.72071000  0.82798400  1
  Fe  Fe11  1  0.70863500  0.42873800  0.67147000  1
  Fe  Fe12  1  0.29349500  0.58752400  0.31873500  1
  Fe  Fe13  1  0.24574500  0.28950800  0.17351800  1
  Fe  Fe14  1  0.24660000  0.78842900  0.82581500  1
  Fe  Fe15  1  0.20634400  0.07399200  0.66611700  1
  P  P16  1  0.97862500  0.44732500  0.25078100  1
  P  P17  1  0.88941000  0.70940700  0.11636600  1
  P  P18  1  0.93238100  0.92002000  0.75890900  1
  P  P19  1  0.87601100  0.14713000  0.58183300  1
  P  P20  1  0.62201000  0.63993700  0.42559300  1
  P  P21  1  0.56245300  0.42320800  0.23594300  1
  P  P22  1  0.47866600  0.05366600  0.24775200  1
  P  P23  1  0.61829500  0.21216200  0.88236200  1
  P  P24  1  0.38608800  0.79354000  0.11501100  1
  P  P25  1  0.52370100  0.94687300  0.75320500  1
  P  P26  1  0.44071000  0.57840700  0.76328500  1
  P  P27  1  0.37740700  0.35390600  0.57799500  1
  P  P28  1  0.12303700  0.85790200  0.42604900  1
  P  P29  1  0.06938400  0.07527200  0.23849600  1
  P  P30  1  0.10691700  0.28348600  0.88448000  1
  P  P31  1  0.02575700  0.55159600  0.75460600  1
  O  O32  1  0.98433900  0.42462300  0.38379200  1
  O  O33  1  0.96577100  0.85161600  0.42883000  1
  O  O34  1  0.91402300  0.08010100  0.26138500  1
  O  O35  1  0.89701800  0.58724400  0.21412900  1
  O  O36  1  0.89609300  0.34071200  0.16357400  1
  O  O37  1  0.81581500  0.82183000  0.17746500  1
  O  O38  1  0.78517700  0.66013800  0.99840800  1
  O  O39  1  0.96653400  0.25692600  0.90947100  1
  O  O40  1  0.88174300  0.06826700  0.70919400  1
  O  O41  1  0.92186200  0.90315500  0.89083600  1
  O  O42  1  0.87065600  0.54280000  0.77849900  1
  O  O43  1  0.81099400  0.28612100  0.59787900  1
  O  O44  1  0.82648000  0.81659800  0.68708800  1
  O  O45  1  0.77876700  0.06462800  0.48220300  1
  O  O46  1  0.70718000  0.56341200  0.53257700  1
  O  O47  1  0.65450300  0.30086300  0.29014900  1
  O  O48  1  0.67863500  0.78404400  0.40577200  1
  O  O49  1  0.63322100  0.03506300  0.22260200  1
  O  O50  1  0.63278300  0.55771100  0.30186900  1
  O  O51  1  0.56265500  0.43751000  0.10260300  1
  O  O52  1  0.52714500  0.76307400  0.09015800  1
  O  O53  1  0.71751900  0.16638500  0.00151700  1
  O  O54  1  0.67541700  0.32968600  0.81665700  1
  O  O55  1  0.60898300  0.08697100  0.78736200  1
  O  O56  1  0.59229100  0.59142100  0.73611400  1
  O  O57  1  0.60242800  0.84065200  0.84342700  1
  O  O58  1  0.53020800  0.34183100  0.56190000  1
  O  O59  1  0.47651200  0.08901300  0.37704300  1
  O  O60  1  0.52082200  0.92166700  0.62212900  1
  O  O61  1  0.46417100  0.64720000  0.42730300  1
  O  O62  1  0.39477300  0.15201000  0.14988900  1
  O  O63  1  0.40895000  0.41285500  0.26354700  1
  O  O64  1  0.39853100  0.91067800  0.21849500  1
  O  O65  1  0.31428000  0.67734500  0.17218800  1
  O  O66  1  0.28256900  0.85343000  0.99882800  1
  O  O67  1  0.47187700  0.23449800  0.90578400  1
  O  O68  1  0.43706600  0.56806300  0.89671800  1
  O  O69  1  0.37969100  0.43652900  0.70312800  1
  O  O70  1  0.37061200  0.96688100  0.78451300  1
  O  O71  1  0.31074200  0.21597500  0.59764600  1
  O  O72  1  0.33657400  0.69090900  0.70579200  1
  O  O73  1  0.27930400  0.43362600  0.47775600  1
  O  O74  1  0.20785500  0.93458900  0.53447700  1
  O  O75  1  0.15688900  0.19814100  0.30151000  1
  O  O76  1  0.17995400  0.71406500  0.40588700  1
  O  O77  1  0.13249700  0.46202300  0.22096500  1
  O  O78  1  0.08645600  0.07162400  0.10842300  1
  O  O79  1  0.13697500  0.93974100  0.30398000  1
  O  O80  1  0.03268800  0.74233000  0.09777200  1
  O  O81  1  0.22170300  0.32964200  0.00087200  1
  O  O82  1  0.18204700  0.16815500  0.82354200  1
  O  O83  1  0.10822100  0.65547200  0.84737100  1
  O  O84  1  0.10498400  0.40839900  0.78848300  1
  O  O85  1  0.08829700  0.91101900  0.73773400  1
  O  O86  1  0.02923800  0.15864400  0.56431000  1
  O  O87  1  0.03130900  0.57964600  0.62548600  1
