# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.15055244
_cell_length_b   10.15055244
_cell_length_c   17.64961797
_cell_angle_alpha   71.55459347
_cell_angle_beta   71.55459347
_cell_angle_gamma   58.71652485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li16 Fe16 P16 O64'
_cell_volume   1448.08915086
_cell_formula_units_Z   16
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  0.49560900  0.87866400  0.68704400  1
  Li  Li1  1  0.93881400  0.36934400  0.68702700  1
  Li  Li2  1  0.37292300  0.44173200  0.18480600  1
  Li  Li3  1  0.36934400  0.93881400  0.18702700  1
  Li  Li4  1  0.87866400  0.49560900  0.18704400  1
  Li  Li5  1  0.44173200  0.37292300  0.68480600  1
  Li  Li6  1  0.75969700  0.62151600  0.93716800  1
  Li  Li7  1  0.99468000  0.87378400  0.68705000  1
  Li  Li8  1  0.62151600  0.75969700  0.43716800  1
  Li  Li9  1  0.25899100  0.68246400  0.93678500  1
  Li  Li10  1  0.75930500  0.12204000  0.93720500  1
  Li  Li11  1  0.68246400  0.25899100  0.43678500  1
  Li  Li12  1  0.87378400  0.99468000  0.18705000  1
  Li  Li13  1  0.18128200  0.25945700  0.43666500  1
  Li  Li14  1  0.25945700  0.18128200  0.93666500  1
  Li  Li15  1  0.12204000  0.75930500  0.43720500  1
  Fe  Fe16  1  0.81338400  0.74416900  0.56313700  1
  Fe  Fe17  1  0.13080100  0.00236700  0.81207800  1
  Fe  Fe18  1  0.74413500  0.31258700  0.06295500  1
  Fe  Fe19  1  0.63137900  0.05868300  0.81265600  1
  Fe  Fe20  1  0.62632700  0.55734800  0.81344400  1
  Fe  Fe21  1  0.24263800  0.37433400  0.06186700  1
  Fe  Fe22  1  0.05868300  0.63137900  0.31265600  1
  Fe  Fe23  1  0.50393600  0.12617200  0.31132400  1
  Fe  Fe24  1  0.12617200  0.50393600  0.81132400  1
  Fe  Fe25  1  0.55734800  0.62632700  0.31344400  1
  Fe  Fe26  1  0.24606400  0.87262500  0.06218500  1
  Fe  Fe27  1  0.87262500  0.24606400  0.56218500  1
  Fe  Fe28  1  0.37433400  0.24263800  0.56186700  1
  Fe  Fe29  1  0.00236700  0.13080100  0.31207800  1
  Fe  Fe30  1  0.31258700  0.74413500  0.56295500  1
  Fe  Fe31  1  0.74416900  0.81338400  0.06313700  1
  P  P32  1  0.43501500  0.37176700  0.87297400  1
  P  P33  1  0.56213500  0.12770700  0.12443900  1
  P  P34  1  0.93844200  0.81551400  0.87524000  1
  P  P35  1  0.18498400  0.06175400  0.62345500  1
  P  P36  1  0.87233700  0.43844900  0.37316300  1
  P  P37  1  0.56492500  0.62714800  0.12455800  1
  P  P38  1  0.06226100  0.68645200  0.12277600  1
  P  P39  1  0.93564000  0.31552600  0.87471000  1
  P  P40  1  0.81551400  0.93844200  0.37524000  1
  P  P41  1  0.31552600  0.93564000  0.37471000  1
  P  P42  1  0.12770700  0.56213500  0.62443900  1
  P  P43  1  0.06175400  0.18498400  0.12345500  1
  P  P44  1  0.43844900  0.87233700  0.87316300  1
  P  P45  1  0.68645200  0.06226100  0.62277600  1
  P  P46  1  0.62714800  0.56492500  0.62455800  1
  P  P47  1  0.37176700  0.43501500  0.37297400  1
  O  O48  1  0.44643700  0.51227100  0.88277000  1
  O  O49  1  0.36354100  0.41239400  0.79720000  1
  O  O50  1  0.32386200  0.32914400  0.94808200  1
  O  O51  1  0.67034000  0.16965000  0.04730000  1
  O  O52  1  0.39573100  0.27107800  0.13789200  1
  O  O53  1  0.08246700  0.13611300  0.70059900  1
  O  O54  1  0.82145100  0.89749500  0.94746300  1
  O  O55  1  0.95613500  0.14721700  0.88935900  1
  O  O56  1  0.10175100  0.80544300  0.86346900  1
  O  O57  1  0.63773100  0.08554000  0.19906400  1
  O  O58  1  0.16965000  0.67034000  0.54730000  1
  O  O59  1  0.00975500  0.45359400  0.38407800  1
  O  O60  1  0.45359400  0.00975500  0.88407800  1
  O  O61  1  0.10720300  0.17556700  0.54936800  1
  O  O62  1  0.19087500  0.89923900  0.63833400  1
  O  O63  1  0.95656900  0.64804000  0.89012200  1
  O  O64  1  0.72847000  0.60401600  0.36274000  1
  O  O65  1  0.27107800  0.39573100  0.63789200  1
  O  O66  1  0.86827400  0.91832100  0.79685800  1
  O  O67  1  0.14106400  0.58255600  0.19819000  1
  O  O68  1  0.81979700  0.39668300  0.94729300  1
  O  O69  1  0.69356500  0.89890900  0.63901300  1
  O  O70  1  0.85505400  0.04154600  0.60776300  1
  O  O71  1  0.60325200  0.23098700  0.86262000  1
  O  O72  1  0.67183600  0.67010300  0.54640700  1
  O  O73  1  0.41790800  0.86234500  0.29733900  1
  O  O74  1  0.54937100  0.48894400  0.11557900  1
  O  O75  1  0.64415100  0.58338100  0.19759200  1
  O  O76  1  0.39668300  0.81979700  0.44729300  1
  O  O77  1  0.67010300  0.67183600  0.04640700  1
  O  O78  1  0.98930300  0.54649600  0.61583700  1
  O  O79  1  0.86234500  0.41790800  0.79733900  1
  O  O80  1  0.14721700  0.95613500  0.38935900  1
  O  O81  1  0.58255600  0.14106400  0.69819000  1
  O  O82  1  0.51227100  0.44643700  0.38277000  1
  O  O83  1  0.17249800  0.60932300  0.04801900  1
  O  O84  1  0.48894400  0.54937100  0.61557900  1
  O  O85  1  0.35343500  0.04009900  0.60862700  1
  O  O86  1  0.32448400  0.83152300  0.94746600  1
  O  O87  1  0.41239400  0.36354100  0.29720000  1
  O  O88  1  0.89749500  0.82145100  0.44746300  1
  O  O89  1  0.17556700  0.10720300  0.04936800  1
  O  O90  1  0.60932300  0.17249800  0.54801900  1
  O  O91  1  0.54649600  0.98930300  0.11583700  1
  O  O92  1  0.83152300  0.32448400  0.44746600  1
  O  O93  1  0.76900000  0.39745400  0.63889900  1
  O  O94  1  0.23098700  0.60325200  0.36262000  1
  O  O95  1  0.91832100  0.86827400  0.29685800  1
  O  O96  1  0.08554000  0.63773100  0.69906400  1
  O  O97  1  0.60401600  0.72847000  0.86274000  1
  O  O98  1  0.13611300  0.08246700  0.20059900  1
  O  O99  1  0.09855500  0.30688500  0.86279900  1
  O  O100  1  0.91777300  0.36761700  0.29646000  1
  O  O101  1  0.04154600  0.85505400  0.10776300  1
  O  O102  1  0.89890900  0.69356500  0.13901300  1
  O  O103  1  0.39745400  0.76900000  0.13889900  1
  O  O104  1  0.58338100  0.64415100  0.69759200  1
  O  O105  1  0.89923900  0.19087500  0.13833400  1
  O  O106  1  0.04009900  0.35343500  0.10862700  1
  O  O107  1  0.30688500  0.09855500  0.36279900  1
  O  O108  1  0.64804000  0.95656900  0.39012200  1
  O  O109  1  0.32914400  0.32386200  0.44808200  1
  O  O110  1  0.80544300  0.10175100  0.36346900  1
  O  O111  1  0.36761700  0.91777300  0.79646000  1
