# generated using pymatgen data_LiFe(PO3)5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.72457500 _cell_length_b 9.05586800 _cell_length_c 10.34279965 _cell_angle_alpha 79.30061792 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFe(PO3)5 _chemical_formula_sum 'Li4 Fe4 P20 O60' _cell_volume 1263.13683825 _cell_formula_units_Z 4 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 0.39242000 0.90873600 0.77610000 1.0 Li Li1 1 0.60758000 0.09126400 0.22390000 1.0 Li Li2 1 0.10758000 0.90873600 0.27610000 1.0 Li Li3 1 0.89242000 0.09126400 0.72390000 1.0 Fe Fe4 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe5 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe6 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe7 1 0.50000000 0.50000000 0.00000000 1.0 P P8 1 0.14089000 0.47923200 0.75054400 1.0 P P9 1 0.64089000 0.52076800 0.74945600 1.0 P P10 1 0.64255700 0.52333200 0.24680400 1.0 P P11 1 0.35744300 0.47666800 0.75319600 1.0 P P12 1 0.91609700 0.81367100 0.57455000 1.0 P P13 1 0.92695200 0.80680800 0.08857100 1.0 P P14 1 0.75191300 0.00289900 0.97923000 1.0 P P15 1 0.42695200 0.19319200 0.41142900 1.0 P P16 1 0.24808700 0.99710100 0.02077000 1.0 P P17 1 0.14255700 0.47666800 0.25319600 1.0 P P18 1 0.07304800 0.19319200 0.91142900 1.0 P P19 1 0.58390300 0.81367100 0.07455000 1.0 P P20 1 0.41609700 0.18632900 0.92545000 1.0 P P21 1 0.57304800 0.80680800 0.58857100 1.0 P P22 1 0.35911000 0.47923200 0.25054400 1.0 P P23 1 0.85911000 0.52076800 0.24945600 1.0 P P24 1 0.74808700 0.00289900 0.47923000 1.0 P P25 1 0.25191300 0.99710100 0.52077000 1.0 P P26 1 0.08390300 0.18632900 0.42545000 1.0 P P27 1 0.85744300 0.52333200 0.74680400 1.0 O O28 1 0.99015600 0.90210300 0.15655900 1.0 O O29 1 0.92506300 0.44093900 0.16917100 1.0 O O30 1 0.49015600 0.09789700 0.34344100 1.0 O O31 1 0.64287200 0.69845100 0.69122700 1.0 O O32 1 0.54428500 0.93453600 0.13855800 1.0 O O33 1 0.12532600 0.49588700 0.10755800 1.0 O O34 1 0.07493700 0.55906100 0.83082900 1.0 O O35 1 0.33080900 0.12220400 0.03123200 1.0 O O36 1 0.83080900 0.87779600 0.46876800 1.0 O O37 1 0.01756600 0.27931900 0.49477000 1.0 O O38 1 0.07713800 0.56188800 0.33120700 1.0 O O39 1 0.51910300 0.71427500 0.50334100 1.0 O O40 1 0.45571500 0.06546400 0.86144200 1.0 O O41 1 0.37467400 0.49588700 0.60755800 1.0 O O42 1 0.62532600 0.50411300 0.39244200 1.0 O O43 1 0.50984400 0.90210300 0.65655900 1.0 O O44 1 0.14667300 0.30122600 0.31541600 1.0 O O45 1 0.48089700 0.28572500 0.49665900 1.0 O O46 1 0.12361300 0.50153100 0.60451300 1.0 O O47 1 0.01910300 0.28572500 0.99665900 1.0 O O48 1 0.16919100 0.12220400 0.53123200 1.0 O O49 1 0.15234300 0.10161900 0.00645900 1.0 O O50 1 0.84765700 0.89838100 0.99354100 1.0 O O51 1 0.26580700 0.92068800 0.90559100 1.0 O O52 1 0.76580700 0.07931200 0.59440900 1.0 O O53 1 0.87467400 0.50411300 0.89244200 1.0 O O54 1 0.14287200 0.30154900 0.80877300 1.0 O O55 1 0.87638700 0.49846900 0.39548700 1.0 O O56 1 0.35712800 0.30154900 0.30877300 1.0 O O57 1 0.65234300 0.89838100 0.49354100 1.0 O O58 1 0.34765700 0.10161900 0.50645900 1.0 O O59 1 0.23419300 0.92068800 0.40559100 1.0 O O60 1 0.64667300 0.69877400 0.18458400 1.0 O O61 1 0.75089700 0.46879000 0.22327500 1.0 O O62 1 0.66919100 0.87779600 0.96876800 1.0 O O63 1 0.98243400 0.72068100 0.50523000 1.0 O O64 1 0.51756600 0.72068100 0.00523000 1.0 O O65 1 0.24910300 0.53121000 0.77672500 1.0 O O66 1 0.42286200 0.56188800 0.83120700 1.0 O O67 1 0.35332700 0.30122600 0.81541600 1.0 O O68 1 0.92286200 0.43811200 0.66879300 1.0 O O69 1 0.25089700 0.53121000 0.27672500 1.0 O O70 1 0.95571500 0.93453600 0.63855800 1.0 O O71 1 0.48243400 0.27931900 0.99477000 1.0 O O72 1 0.26445900 0.89181000 0.65082400 1.0 O O73 1 0.74910300 0.46879000 0.72327500 1.0 O O74 1 0.57493700 0.44093900 0.66917100 1.0 O O75 1 0.85712800 0.69845100 0.19122700 1.0 O O76 1 0.57713800 0.43811200 0.16879300 1.0 O O77 1 0.76445900 0.10819000 0.84917600 1.0 O O78 1 0.04428500 0.06546400 0.36144200 1.0 O O79 1 0.73419300 0.07931200 0.09440900 1.0 O O80 1 0.62361300 0.49846900 0.89548700 1.0 O O81 1 0.42506300 0.55906100 0.33082900 1.0 O O82 1 0.00984400 0.09789700 0.84344100 1.0 O O83 1 0.73554100 0.10819000 0.34917600 1.0 O O84 1 0.23554100 0.89181000 0.15082400 1.0 O O85 1 0.98089700 0.71427500 0.00334100 1.0 O O86 1 0.37638700 0.50153100 0.10451300 1.0 O O87 1 0.85332700 0.69877400 0.68458400 1.0