# generated using pymatgen data_LiFePCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41198163 _cell_length_b 5.14290039 _cell_length_c 12.88410350 _cell_angle_alpha 90.06582813 _cell_angle_beta 89.65884916 _cell_angle_gamma 85.10686061 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFePCO7 _chemical_formula_sum 'Li4 Fe4 P4 C4 O28' _cell_volume 555.34985644 _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 0.10845100 0.77008900 0.12628200 1.0 Li Li1 1 0.28192100 0.24465600 0.72706200 1.0 Li Li2 1 0.89021900 0.23044900 0.37806600 1.0 Li Li3 1 0.89061100 0.22492000 0.87615300 1.0 Fe Fe4 1 0.33172100 0.80511200 0.37629900 1.0 Fe Fe5 1 0.33679600 0.80183700 0.87886400 1.0 Fe Fe6 1 0.66575700 0.19616800 0.12568600 1.0 Fe Fe7 1 0.66553900 0.20031600 0.62466300 1.0 P P8 1 0.42225500 0.72627600 0.12631600 1.0 P P9 1 0.42342600 0.73267300 0.62622600 1.0 P P10 1 0.57512900 0.27693500 0.37337100 1.0 P P11 1 0.57931300 0.27612600 0.87502200 1.0 C C12 1 0.04568400 0.70368100 0.86937000 1.0 C C13 1 0.04278700 0.70701500 0.37722400 1.0 C C14 1 0.95747100 0.29286300 0.12398800 1.0 C C15 1 0.95702000 0.28622600 0.62862300 1.0 O O16 1 0.07370600 0.94940100 0.37572200 1.0 O O17 1 0.07459200 0.94786900 0.87504600 1.0 O O18 1 0.09304800 0.37851300 0.12384200 1.0 O O19 1 0.09975300 0.33401900 0.63820700 1.0 O O20 1 0.17436300 0.53798900 0.86396500 1.0 O O21 1 0.16783600 0.53849000 0.37764600 1.0 O O22 1 0.32143800 0.79320000 0.52977300 1.0 O O23 1 0.31195800 0.79558000 0.03168000 1.0 O O24 1 0.30745900 0.79522300 0.21867900 1.0 O O25 1 0.31878100 0.83380700 0.72004400 1.0 O O26 1 0.42341000 0.13025900 0.37252100 1.0 O O27 1 0.42169800 0.14000700 0.86837500 1.0 O O28 1 0.47709500 0.43147700 0.12555700 1.0 O O29 1 0.46586500 0.43113300 0.63896700 1.0 O O30 1 0.52047900 0.57153400 0.36954300 1.0 O O31 1 0.52674500 0.57224200 0.87673000 1.0 O O32 1 0.57448500 0.87190600 0.12665300 1.0 O O33 1 0.58083300 0.86700200 0.62308600 1.0 O O34 1 0.69112200 0.20451400 0.28151200 1.0 O O35 1 0.68241100 0.21866400 0.46932200 1.0 O O36 1 0.69178400 0.20860200 0.78169300 1.0 O O37 1 0.68543800 0.19610100 0.96916800 1.0 O O38 1 0.83108800 0.45948300 0.12350300 1.0 O O39 1 0.83985600 0.46717500 0.62383500 1.0 O O40 1 0.90661100 0.62407900 0.37594800 1.0 O O41 1 0.91086300 0.61794400 0.87209700 1.0 O O42 1 0.92815800 0.04969500 0.12442800 1.0 O O43 1 0.90921100 0.05323200 0.62325000 1.0