# generated using pymatgen data_LiFePCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23308600 _cell_length_b 8.23659076 _cell_length_c 9.44029070 _cell_angle_alpha 106.74435912 _cell_angle_beta 107.12728064 _cell_angle_gamma 102.92904067 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFePCO7 _chemical_formula_sum 'Li4 Fe4 P4 C4 O28' _cell_volume 551.52861925 _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 0.30977900 0.55247800 0.10542000 1.0 Li Li1 1 0.54262100 0.00808400 0.28305700 1.0 Li Li2 1 0.18007300 0.93800900 0.88947300 1.0 Li Li3 1 0.68670400 0.43518300 0.89206900 1.0 Fe Fe4 1 0.18807800 0.94647200 0.33544700 1.0 Fe Fe5 1 0.69678300 0.44785800 0.33219400 1.0 Fe Fe6 1 0.80777300 0.05770900 0.66873700 1.0 Fe Fe7 1 0.30408200 0.55485300 0.66450000 1.0 P P8 1 0.44900900 0.69909200 0.42156700 1.0 P P9 1 0.94660400 0.20100600 0.42188700 1.0 P P10 1 0.55528800 0.30303100 0.57759300 1.0 P P11 1 0.05411900 0.80326400 0.57934000 1.0 C C12 1 0.50219700 0.24457700 0.04181200 1.0 C C13 1 0.00177900 0.75237300 0.04227400 1.0 C C14 1 0.00025200 0.24990600 0.95949800 1.0 C C15 1 0.49392400 0.74934800 0.96058000 1.0 O O16 1 0.14186900 0.88723700 0.07402800 1.0 O O17 1 0.63248700 0.38787300 0.07290700 1.0 O O18 1 0.10457900 0.35495600 0.09938800 1.0 O O19 1 0.48629000 0.21738400 0.16841800 1.0 O O20 1 0.58554200 0.86016200 0.10230000 1.0 O O21 1 0.97775500 0.73115100 0.16743600 1.0 O O22 1 0.02911200 0.08935900 0.32115900 1.0 O O23 1 0.83562800 0.27846100 0.31349000 1.0 O O24 1 0.34544200 0.78088200 0.30786700 1.0 O O25 1 0.51733800 0.57969300 0.30838000 1.0 O O26 1 0.41637900 0.14335100 0.42138900 1.0 O O27 1 0.81014500 0.07739000 0.46579300 1.0 O O28 1 0.32127500 0.58184700 0.47258100 1.0 O O29 1 0.90394400 0.65767600 0.42481600 1.0 O O30 1 0.09279100 0.34738300 0.57931500 1.0 O O31 1 0.67424500 0.42655300 0.52446100 1.0 O O32 1 0.18055000 0.92252200 0.52751200 1.0 O O33 1 0.60057800 0.84668800 0.57389900 1.0 O O34 1 0.47211100 0.41046200 0.68200200 1.0 O O35 1 0.67181900 0.23500900 0.69326600 1.0 O O36 1 0.16635400 0.72928500 0.69190000 1.0 O O37 1 0.98247200 0.92138300 0.68869600 1.0 O O38 1 0.02789600 0.27682800 0.83737800 1.0 O O39 1 0.38996400 0.13661500 0.90517500 1.0 O O40 1 0.52659100 0.77221500 0.84028600 1.0 O O41 1 0.89242100 0.64222700 0.90529000 1.0 O O42 1 0.35989700 0.60566700 0.92317400 1.0 O O43 1 0.86078600 0.10984200 0.91643500 1.0