# generated using pymatgen
data_LiFePO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.12487975
_cell_length_b   10.12487975
_cell_length_c   22.91587400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999836
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFePO4
_chemical_formula_sum   'Li24 Fe24 P24 O96'
_cell_volume   2034.44902331
_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  0.00207200  0.94332300  0.41892000  1
  Li  Li1  1  0.06359200  0.56312900  0.91644200  1
  Li  Li2  1  0.06123700  0.51598100  0.25610600  1
  Li  Li3  1  0.01886400  0.47788200  0.58699800  1
  Li  Li4  1  0.45901900  0.98113600  0.92033100  1
  Li  Li5  1  0.45474400  0.93876300  0.58944000  1
  Li  Li6  1  0.05667700  0.05874900  0.08558700  1
  Li  Li7  1  0.49953700  0.93640800  0.24977500  1
  Li  Li8  1  0.05874900  0.00207200  0.25225400  1
  Li  Li9  1  0.43687100  0.50046300  0.58310800  1
  Li  Li10  1  0.48401900  0.54525600  0.92277300  1
  Li  Li11  1  0.52211800  0.54098100  0.25366400  1
  Li  Li12  1  0.47788200  0.45901900  0.75366400  1
  Li  Li13  1  0.51598100  0.45474400  0.42277300  1
  Li  Li14  1  0.56312900  0.49953700  0.08310800  1
  Li  Li15  1  0.94125100  0.99792800  0.75225400  1
  Li  Li16  1  0.50046300  0.06359200  0.74977500  1
  Li  Li17  1  0.94332300  0.94125100  0.58558700  1
  Li  Li18  1  0.54525600  0.06123700  0.08944000  1
  Li  Li19  1  0.54098100  0.01886400  0.42033100  1
  Li  Li20  1  0.98113600  0.52211800  0.08699800  1
  Li  Li21  1  0.93876300  0.48401900  0.75610600  1
  Li  Li22  1  0.93640800  0.43687100  0.41644200  1
  Li  Li23  1  0.99792800  0.05667700  0.91892000  1
  Fe  Fe24  1  0.14385600  0.83269500  0.67904600  1
  Fe  Fe25  1  0.18714700  0.88343400  0.00964000  1
  Fe  Fe26  1  0.17377500  0.78701300  0.37677000  1
  Fe  Fe27  1  0.11656600  0.30371300  0.67630700  1
  Fe  Fe28  1  0.33117600  0.67615100  0.81836100  1
  Fe  Fe29  1  0.32384900  0.65502400  0.48502700  1
  Fe  Fe30  1  0.34497600  0.66882400  0.15169400  1
  Fe  Fe31  1  0.16730500  0.31116100  0.34571200  1
  Fe  Fe32  1  0.21298700  0.38676200  0.04343700  1
  Fe  Fe33  1  0.61323800  0.82622500  0.71010400  1
  Fe  Fe34  1  0.30371300  0.18714700  0.84297400  1
  Fe  Fe35  1  0.31116100  0.14385600  0.51237900  1
  Fe  Fe36  1  0.68883900  0.85614400  0.01237900  1
  Fe  Fe37  1  0.69628700  0.81285300  0.34297400  1
  Fe  Fe38  1  0.38676200  0.17377500  0.21010400  1
  Fe  Fe39  1  0.78701300  0.61323800  0.54343700  1
  Fe  Fe40  1  0.83269500  0.68883900  0.84571200  1
  Fe  Fe41  1  0.65502400  0.33117600  0.65169400  1
  Fe  Fe42  1  0.67615100  0.34497600  0.98502700  1
  Fe  Fe43  1  0.66882400  0.32384900  0.31836100  1
  Fe  Fe44  1  0.88343400  0.69628700  0.17630700  1
  Fe  Fe45  1  0.82622500  0.21298700  0.87677000  1
  Fe  Fe46  1  0.81285300  0.11656600  0.50964000  1
  Fe  Fe47  1  0.85614400  0.16730500  0.17904600  1
  P  P48  1  0.17234600  0.85489500  0.81343300  1
  P  P49  1  0.12907500  0.77760400  0.50891500  1
  P  P50  1  0.21750600  0.88052000  0.14682700  1
  P  P51  1  0.11948000  0.33698600  0.81349400  1
  P  P52  1  0.32743600  0.68860600  0.00904500  1
  P  P53  1  0.14510500  0.31745100  0.48010000  1
  P  P54  1  0.31139400  0.63883100  0.67571100  1
  P  P55  1  0.36116900  0.67256400  0.34237800  1
  P  P56  1  0.22239600  0.35147000  0.17558200  1
  P  P57  1  0.64853000  0.87092500  0.84224800  1
  P  P58  1  0.33698600  0.21750600  0.98016100  1
  P  P59  1  0.31745100  0.17234600  0.64676700  1
  P  P60  1  0.68254900  0.82765400  0.14676700  1
  P  P61  1  0.66301400  0.78249400  0.48016100  1
  P  P62  1  0.35147000  0.12907500  0.34224800  1
  P  P63  1  0.77760400  0.64853000  0.67558200  1
  P  P64  1  0.63883100  0.32743600  0.84237800  1
  P  P65  1  0.68860600  0.36116900  0.17571100  1
  P  P66  1  0.85489500  0.68254900  0.98010000  1
  P  P67  1  0.67256400  0.31139400  0.50904500  1
  P  P68  1  0.88052000  0.66301400  0.31349400  1
  P  P69  1  0.78249400  0.11948000  0.64682700  1
  P  P70  1  0.87092500  0.22239600  0.00891500  1
  P  P71  1  0.82765400  0.14510500  0.31343300  1
  O  O72  1  0.01743800  0.70717500  0.79902900  1
  O  O73  1  0.13282300  0.96965700  0.84312400  1
  O  O74  1  0.01215400  0.68087500  0.55715300  1
  O  O75  1  0.12872800  0.92882100  0.49631100  1
  O  O76  1  0.17686400  0.98336200  0.18517200  1
  O  O77  1  0.07046500  0.72627200  0.13321600  1
  O  O78  1  0.07993700  0.67591100  0.45235500  1
  O  O79  1  0.26119400  0.92058300  0.75538700  1
  O  O80  1  0.28683800  0.96387700  0.08822000  1
  O  O81  1  0.15807200  0.63853800  0.67767600  1
  O  O82  1  0.21111100  0.71316700  0.97318800  1
  O  O83  1  0.27454900  0.82260500  0.85506100  1
  O  O84  1  0.21200400  0.65573900  0.31627900  1
  O  O85  1  0.29048300  0.81267100  0.52773200  1
  O  O86  1  0.03612300  0.32296000  0.75488700  1
  O  O87  1  0.33855500  0.85709300  0.17988300  1
  O  O88  1  0.14290700  0.48146300  0.84655000  1
  O  O89  1  0.01663800  0.19350200  0.85183900  1
  O  O90  1  0.07941700  0.34061100  0.42205300  1
  O  O91  1  0.03034300  0.16316600  0.50979100  1
  O  O92  1  0.25519900  0.63031700  0.07095200  1
  O  O93  1  0.07117900  0.19990700  0.16297700  1
  O  O94  1  0.17739500  0.45194400  0.52172800  1
  O  O95  1  0.18732900  0.47781200  0.19439900  1
  O  O96  1  0.37511700  0.74480100  0.40428500  1
  O  O97  1  0.28683300  0.49794400  0.63985500  1
  O  O98  1  0.36968300  0.62488300  0.73761800  1
  O  O99  1  0.34426100  0.55626500  0.98294600  1
  O  O100  1  0.44373500  0.78799600  0.64961300  1
  O  O101  1  0.48046600  0.84192800  0.01101000  1
  O  O102  1  0.36146200  0.51953400  0.34434300  1
  O  O103  1  0.16316600  0.13282300  0.67645800  1
  O  O104  1  0.19350200  0.17686400  0.01850600  1
  O  O105  1  0.27372800  0.34419300  0.79988300  1
  O  O106  1  0.32408900  0.40402600  0.11902100  1
  O  O107  1  0.50205600  0.78888900  0.30652100  1
  O  O108  1  0.19990700  0.12872800  0.32964400  1
  O  O109  1  0.29282500  0.31026200  0.46569600  1
  O  O110  1  0.31912500  0.33127900  0.22382000  1
  O  O111  1  0.52218800  0.70951700  0.86106500  1
  O  O112  1  0.59597400  0.92006300  0.78568800  1
  O  O113  1  0.54805600  0.72545100  0.18839400  1
  O  O114  1  0.32296000  0.28683800  0.92155400  1
  O  O115  1  0.66872100  0.98784600  0.89048600  1
  O  O116  1  0.51853700  0.66144500  0.51321600  1
  O  O117  1  0.34061100  0.26119400  0.58872000  1
  O  O118  1  0.65580700  0.92953500  0.46654900  1
  O  O119  1  0.68973800  0.98256200  0.13236200  1
  O  O120  1  0.31026200  0.01743800  0.63236200  1
  O  O121  1  0.34419300  0.07046500  0.96654900  1
  O  O122  1  0.65938900  0.73880600  0.08872000  1
  O  O123  1  0.48146300  0.33855500  0.01321600  1
  O  O124  1  0.33127900  0.01215400  0.39048600  1
  O  O125  1  0.67704000  0.71316200  0.42155400  1
  O  O126  1  0.45194400  0.27454900  0.68839400  1
  O  O127  1  0.40402600  0.07993700  0.28568800  1
  O  O128  1  0.47781200  0.29048300  0.36106500  1
  O  O129  1  0.68087500  0.66872100  0.72382000  1
  O  O130  1  0.70717500  0.68973800  0.96569600  1
  O  O131  1  0.80009300  0.87127200  0.82964400  1
  O  O132  1  0.49794400  0.21111100  0.80652100  1
  O  O133  1  0.67591100  0.59597400  0.61902100  1
  O  O134  1  0.72627200  0.65580700  0.29988300  1
  O  O135  1  0.80649800  0.82313600  0.51850600  1
  O  O136  1  0.83683400  0.86717700  0.17645800  1
  O  O137  1  0.63853800  0.48046600  0.84434300  1
  O  O138  1  0.51953400  0.15807200  0.51101000  1
  O  O139  1  0.55626500  0.21200400  0.14961300  1
  O  O140  1  0.65573900  0.44373500  0.48294600  1
  O  O141  1  0.63031700  0.37511700  0.23761800  1
  O  O142  1  0.71316700  0.50205600  0.13985500  1
  O  O143  1  0.62488300  0.25519900  0.90428500  1
  O  O144  1  0.81267100  0.52218800  0.69439900  1
  O  O145  1  0.82260500  0.54805600  0.02172800  1
  O  O146  1  0.92882100  0.80009300  0.66297700  1
  O  O147  1  0.74480100  0.36968300  0.57095200  1
  O  O148  1  0.96965700  0.83683400  0.00979100  1
  O  O149  1  0.92058300  0.65938900  0.92205300  1
  O  O150  1  0.98336200  0.80649800  0.35183900  1
  O  O151  1  0.85709300  0.51853700  0.34655000  1
  O  O152  1  0.66144500  0.14290700  0.67988300  1
  O  O153  1  0.96387700  0.67704000  0.25488700  1
  O  O154  1  0.70951700  0.18732900  0.02773200  1
  O  O155  1  0.78799600  0.34426100  0.81627900  1
  O  O156  1  0.72545100  0.17739500  0.35506100  1
  O  O157  1  0.78888900  0.28683300  0.47318800  1
  O  O158  1  0.84192800  0.36146200  0.17767600  1
  O  O159  1  0.71316200  0.03612300  0.58822000  1
  O  O160  1  0.73880600  0.07941700  0.25538700  1
  O  O161  1  0.92006300  0.32408900  0.95235500  1
  O  O162  1  0.92953500  0.27372800  0.63321600  1
  O  O163  1  0.82313600  0.01663800  0.68517200  1
  O  O164  1  0.87127200  0.07117900  0.99631100  1
  O  O165  1  0.98784600  0.31912500  0.05715300  1
  O  O166  1  0.86717700  0.03034300  0.34312400  1
  O  O167  1  0.98256200  0.29282500  0.29902900  1
