# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.02581793
_cell_length_b   10.02581793
_cell_length_c   24.09161800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li24 Fe24 P24 O96'
_cell_volume   2097.18251903
_cell_formula_units_Z   24
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  0.02182500  0.97085100  0.69490200  1
  Li  Li1  1  0.03050800  0.58160200  0.03464900  1
  Li  Li2  1  0.06138700  0.46438900  0.19399400  1
  Li  Li3  1  0.03996000  0.47684800  0.84879500  1
  Li  Li4  1  0.40300200  0.93861300  0.86066100  1
  Li  Li5  1  0.43688800  0.96004000  0.51546200  1
  Li  Li6  1  0.02914900  0.05097300  0.02823600  1
  Li  Li7  1  0.05097300  0.02182500  0.86156900  1
  Li  Li8  1  0.55109400  0.96949200  0.70131600  1
  Li  Li9  1  0.41839800  0.44890600  0.36798200  1
  Li  Li10  1  0.52315200  0.56311200  0.18212900  1
  Li  Li11  1  0.53561100  0.59699800  0.52732700  1
  Li  Li12  1  0.46438900  0.40300200  0.02732700  1
  Li  Li13  1  0.47684800  0.43688800  0.68212900  1
  Li  Li14  1  0.58160200  0.55109400  0.86798200  1
  Li  Li15  1  0.44890600  0.03050800  0.20131600  1
  Li  Li16  1  0.94902700  0.97817500  0.36156900  1
  Li  Li17  1  0.97085100  0.94902700  0.52823600  1
  Li  Li18  1  0.56311200  0.03996000  0.01546200  1
  Li  Li19  1  0.59699800  0.06138700  0.36066100  1
  Li  Li20  1  0.96004000  0.52315200  0.34879500  1
  Li  Li21  1  0.93861300  0.53561100  0.69399400  1
  Li  Li22  1  0.96949200  0.41839800  0.53464900  1
  Li  Li23  1  0.97817500  0.02914900  0.19490200  1
  Fe  Fe24  1  0.10593800  0.82328600  0.27258100  1
  Fe  Fe25  1  0.08190200  0.75935000  0.91981500  1
  Fe  Fe26  1  0.12436000  0.75643900  0.59529400  1
  Fe  Fe27  1  0.31032700  0.66386700  0.75474500  1
  Fe  Fe28  1  0.33613300  0.64646000  0.08807800  1
  Fe  Fe29  1  0.35354000  0.68967300  0.42141200  1
  Fe  Fe30  1  0.17671400  0.28265200  0.60591400  1
  Fe  Fe31  1  0.24356100  0.36792100  0.92862700  1
  Fe  Fe32  1  0.24065000  0.32255100  0.25314800  1
  Fe  Fe33  1  0.63207900  0.87564000  0.26196000  1
  Fe  Fe34  1  0.67744900  0.91809800  0.58648200  1
  Fe  Fe35  1  0.28265200  0.10593800  0.43924700  1
  Fe  Fe36  1  0.71734800  0.89406200  0.93924700  1
  Fe  Fe37  1  0.32255100  0.08190200  0.08648200  1
  Fe  Fe38  1  0.36792100  0.12436000  0.76196000  1
  Fe  Fe39  1  0.75935000  0.67744900  0.75314800  1
  Fe  Fe40  1  0.75643900  0.63207900  0.42862700  1
  Fe  Fe41  1  0.82328600  0.71734800  0.10591400  1
  Fe  Fe42  1  0.64646000  0.31032700  0.92141200  1
  Fe  Fe43  1  0.66386700  0.35354000  0.58807800  1
  Fe  Fe44  1  0.68967300  0.33613300  0.25474500  1
  Fe  Fe45  1  0.87564000  0.24356100  0.09529400  1
  Fe  Fe46  1  0.91809800  0.24065000  0.41981500  1
  Fe  Fe47  1  0.89406200  0.17671400  0.77258100  1
  P  P48  1  0.09182100  0.78532900  0.78943000  1
  P  P49  1  0.08157700  0.75318200  0.46785800  1
  P  P50  1  0.13208000  0.77120800  0.14060300  1
  P  P51  1  0.28331200  0.64466500  0.29424900  1
  P  P52  1  0.36135300  0.71668800  0.96091600  1
  P  P53  1  0.35533500  0.63864700  0.62758200  1
  P  P54  1  0.22879200  0.36087200  0.47393700  1
  P  P55  1  0.21467100  0.30649200  0.12276400  1
  P  P56  1  0.24681800  0.32839500  0.80119100  1
  P  P57  1  0.63912800  0.86792000  0.80727000  1
  P  P58  1  0.67160500  0.91842300  0.13452500  1
  P  P59  1  0.69350800  0.90817900  0.45609700  1
  P  P60  1  0.30649200  0.09182100  0.95609700  1
  P  P61  1  0.32839500  0.08157700  0.63452500  1
  P  P62  1  0.36087200  0.13208000  0.30727000  1
  P  P63  1  0.75318200  0.67160500  0.30119100  1
  P  P64  1  0.78532900  0.69350800  0.62276400  1
  P  P65  1  0.77120800  0.63912800  0.97393700  1
  P  P66  1  0.64466500  0.36135300  0.12758200  1
  P  P67  1  0.63864700  0.28331200  0.46091600  1
  P  P68  1  0.71668800  0.35533500  0.79424900  1
  P  P69  1  0.86792000  0.22879200  0.64060300  1
  P  P70  1  0.91842300  0.24681800  0.96785800  1
  P  P71  1  0.90817900  0.21467100  0.28943000  1
  O  O72  1  0.04319900  0.77318100  0.08769000  1
  O  O73  1  0.08820100  0.91231100  0.47250100  1
  O  O74  1  0.01806900  0.68285800  0.84130200  1
  O  O75  1  0.14385500  0.98541900  0.93017500  1
  O  O76  1  0.03419400  0.75850300  0.19176100  1
  O  O77  1  0.01451100  0.66192200  0.52228300  1
  O  O78  1  0.23993500  0.93426300  0.80859700  1
  O  O79  1  0.13583800  0.65584900  0.30461600  1
  O  O80  1  0.12036900  0.68824400  0.74615200  1
  O  O81  1  0.31566300  0.97366500  0.58558800  1
  O  O82  1  0.29254000  0.92212900  0.14199400  1
  O  O83  1  0.16003100  0.63244500  0.13662000  1
  O  O84  1  0.25027800  0.78829400  0.46013500  1
  O  O85  1  0.19301700  0.60533000  0.61141300  1
  O  O86  1  0.07787100  0.37041100  0.47532700  1
  O  O87  1  0.27708600  0.74845400  0.91300900  1
  O  O88  1  0.02633500  0.34199800  0.91892100  1
  O  O89  1  0.06573700  0.30567100  0.14193000  1
  O  O90  1  0.01458100  0.15843600  0.26350900  1
  O  O91  1  0.08768900  0.17589000  0.80583400  1
  O  O92  1  0.26039400  0.67442700  0.01419600  1
  O  O93  1  0.25154600  0.52863200  0.24634300  1
  O  O94  1  0.32557300  0.58596600  0.34752900  1
  O  O95  1  0.21170600  0.46198400  0.79346800  1
  O  O96  1  0.41403400  0.73960600  0.68086300  1
  O  O97  1  0.41231300  0.80698300  0.27808000  1
  O  O98  1  0.47241500  0.83996900  0.80328700  1
  O  O99  1  0.31175600  0.43212400  0.07948500  1
  O  O100  1  0.34415100  0.47998800  0.63794900  1
  O  O101  1  0.36755500  0.52758500  0.46995400  1
  O  O102  1  0.24149700  0.27569100  0.52509500  1
  O  O103  1  0.39467000  0.58768700  0.94474700  1
  O  O104  1  0.47136800  0.72291400  0.57967600  1
  O  O105  1  0.52001200  0.86416200  0.97128200  1
  O  O106  1  0.56787600  0.87963100  0.41281900  1
  O  O107  1  0.15843600  0.14385500  0.09684200  1
  O  O108  1  0.22681900  0.27001700  0.42102300  1
  O  O109  1  0.31714200  0.33521100  0.17463600  1
  O  O110  1  0.17589000  0.08820100  0.63916800  1
  O  O111  1  0.33807800  0.35258900  0.85561700  1
  O  O112  1  0.53801600  0.74972200  0.12680200  1
  O  O113  1  0.30567100  0.23993500  0.97526400  1
  O  O114  1  0.64741100  0.98548900  0.18895000  1
  O  O115  1  0.34199800  0.31566300  0.75225400  1
  O  O116  1  0.37041100  0.29254000  0.30866000  1
  O  O117  1  0.66478900  0.98193100  0.50796900  1
  O  O118  1  0.72430900  0.96580600  0.85842800  1
  O  O119  1  0.27001700  0.04319900  0.25435700  1
  O  O120  1  0.72998300  0.95680100  0.75435700  1
  O  O121  1  0.27569100  0.03419400  0.35842800  1
  O  O122  1  0.33521100  0.01806900  0.00796900  1
  O  O123  1  0.62958900  0.70746000  0.80866000  1
  O  O124  1  0.65800200  0.68433700  0.25225400  1
  O  O125  1  0.35258900  0.01451100  0.68895000  1
  O  O126  1  0.69432900  0.76006500  0.47526400  1
  O  O127  1  0.46198400  0.25027800  0.62680200  1
  O  O128  1  0.66192200  0.64741100  0.35561700  1
  O  O129  1  0.82411000  0.91179900  0.13916800  1
  O  O130  1  0.68285800  0.66478900  0.67463600  1
  O  O131  1  0.77318100  0.72998300  0.92102300  1
  O  O132  1  0.84156400  0.85614500  0.59684200  1
  O  O133  1  0.43212400  0.12036900  0.91281900  1
  O  O134  1  0.47998800  0.13583800  0.47128200  1
  O  O135  1  0.52863200  0.27708600  0.07967600  1
  O  O136  1  0.60533000  0.41231300  0.44474700  1
  O  O137  1  0.75850300  0.72430900  0.02509500  1
  O  O138  1  0.63244500  0.47241500  0.96995400  1
  O  O139  1  0.65584900  0.52001200  0.13794900  1
  O  O140  1  0.68824400  0.56787600  0.57948500  1
  O  O141  1  0.52758500  0.16003100  0.30328700  1
  O  O142  1  0.58768700  0.19301700  0.77808000  1
  O  O143  1  0.58596600  0.26039400  0.18086300  1
  O  O144  1  0.78829400  0.53801600  0.29346800  1
  O  O145  1  0.67442700  0.41403400  0.84752900  1
  O  O146  1  0.74845400  0.47136800  0.74634300  1
  O  O147  1  0.73960600  0.32557300  0.51419600  1
  O  O148  1  0.91231100  0.82411000  0.30583400  1
  O  O149  1  0.98541900  0.84156400  0.76350900  1
  O  O150  1  0.93426300  0.69432900  0.64193000  1
  O  O151  1  0.97366500  0.65800200  0.41892100  1
  O  O152  1  0.72291400  0.25154600  0.41300900  1
  O  O153  1  0.92212900  0.62958900  0.97532700  1
  O  O154  1  0.80698300  0.39467000  0.11141300  1
  O  O155  1  0.74972200  0.21170600  0.96013500  1
  O  O156  1  0.83996900  0.36755500  0.63662000  1
  O  O157  1  0.70746000  0.07787100  0.64199400  1
  O  O158  1  0.68433700  0.02633500  0.08558800  1
  O  O159  1  0.87963100  0.31175600  0.24615200  1
  O  O160  1  0.86416200  0.34415100  0.80461600  1
  O  O161  1  0.76006500  0.06573700  0.30859700  1
  O  O162  1  0.98548900  0.33807800  0.02228300  1
  O  O163  1  0.96580600  0.24149700  0.69176100  1
  O  O164  1  0.85614500  0.01458100  0.43017500  1
  O  O165  1  0.98193100  0.31714200  0.34130200  1
  O  O166  1  0.91179900  0.08768900  0.97250100  1
  O  O167  1  0.95680100  0.22681900  0.58769000  1
