# generated using pymatgen data_LiFePCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.50944106 _cell_length_b 8.23964674 _cell_length_c 8.25335480 _cell_angle_alpha 77.58728815 _cell_angle_beta 72.97138131 _cell_angle_gamma 107.29612273 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFePCO7 _chemical_formula_sum 'Li4 Fe4 P4 C4 O28' _cell_volume 557.13160257 _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 0.89156300 0.18420900 0.06446700 1.0 Li Li1 1 0.71484900 0.46457200 0.98595300 1.0 Li Li2 1 0.11245300 0.82151900 0.93296700 1.0 Li Li3 1 0.11102100 0.31946100 0.43340900 1.0 Fe Fe4 1 0.66193900 0.81054400 0.94294400 1.0 Fe Fe5 1 0.66608200 0.30657100 0.44790800 1.0 Fe Fe6 1 0.33062300 0.19042800 0.05970700 1.0 Fe Fe7 1 0.34014000 0.69516400 0.55608000 1.0 P P8 1 0.57574000 0.54678400 0.70349400 1.0 P P9 1 0.57829500 0.05470000 0.20031700 1.0 P P10 1 0.42421600 0.44616000 0.30006300 1.0 P P11 1 0.42155400 0.94865600 0.80127100 1.0 C C12 1 0.95623000 0.50249900 0.24754500 1.0 C C13 1 0.95606400 0.99522900 0.74774100 1.0 C C14 1 0.03810200 0.99896600 0.25016000 1.0 C C15 1 0.04509000 0.50262800 0.75652700 1.0 O O16 1 0.92779400 0.86167300 0.88519900 1.0 O O17 1 0.92872800 0.36945100 0.38432900 1.0 O O18 1 0.89722500 0.89558100 0.35426300 1.0 O O19 1 0.82895700 0.51717800 0.22468600 1.0 O O20 1 0.90579700 0.41057700 0.87255700 1.0 O O21 1 0.82992800 0.01460000 0.72766200 1.0 O O22 1 0.68759700 0.98210900 0.08102300 1.0 O O23 1 0.69454800 0.16892700 0.26995100 1.0 O O24 1 0.68007000 0.64439100 0.79485200 1.0 O O25 1 0.68085800 0.47052900 0.58818900 1.0 O O26 1 0.57914600 0.58823200 0.14351400 1.0 O O27 1 0.53175800 0.18775300 0.08081300 1.0 O O28 1 0.52843100 0.67687400 0.58545700 1.0 O O29 1 0.57389600 0.09628100 0.65217400 1.0 O O30 1 0.42764800 0.90588400 0.34779500 1.0 O O31 1 0.47763900 0.32435600 0.41763400 1.0 O O32 1 0.47438500 0.82797500 0.92212300 1.0 O O33 1 0.42058900 0.39620300 0.84924900 1.0 O O34 1 0.32096400 0.52695400 0.41185900 1.0 O O35 1 0.30827700 0.33106400 0.23120400 1.0 O O36 1 0.30966900 0.83235800 0.73036400 1.0 O O37 1 0.31209600 0.02059300 0.91939100 1.0 O O38 1 0.15733200 0.97158600 0.27760000 1.0 O O39 1 0.09058700 0.61465500 0.13591500 1.0 O O40 1 0.16773000 0.47048200 0.77163900 1.0 O O41 1 0.09072000 0.10802300 0.63772400 1.0 O O42 1 0.08729500 0.63640500 0.61347600 1.0 O O43 1 0.07218500 0.13588800 0.11214700 1.0