# generated using pymatgen data_LiFePCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.96723708 _cell_length_b 5.17434030 _cell_length_c 6.43754432 _cell_angle_alpha 89.88409327 _cell_angle_beta 89.68784870 _cell_angle_gamma 84.69379363 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFePCO7 _chemical_formula_sum 'Li4 Fe4 P4 C4 O28' _cell_volume 562.74845297 _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 0.05773000 0.77173400 0.25057500 1.0 Li Li1 1 0.44260100 0.22337000 0.75736600 1.0 Li Li2 1 0.64122400 0.24605900 0.45226100 1.0 Li Li3 1 0.94402300 0.22591100 0.75081300 1.0 Fe Fe4 1 0.16693500 0.80168500 0.75003100 1.0 Fe Fe5 1 0.33355400 0.20477500 0.24780800 1.0 Fe Fe6 1 0.66908800 0.80329600 0.75746700 1.0 Fe Fe7 1 0.83126400 0.19770000 0.25407800 1.0 P P8 1 0.21241000 0.73415800 0.24970800 1.0 P P9 1 0.28769900 0.27101600 0.74818700 1.0 P P10 1 0.71143800 0.73521600 0.25589900 1.0 P P11 1 0.78825300 0.27633200 0.74793500 1.0 C C12 1 0.02145100 0.70255300 0.75155200 1.0 C C13 1 0.47793100 0.28493400 0.25983100 1.0 C C14 1 0.52430800 0.70385300 0.74013800 1.0 C C15 1 0.97821300 0.29427000 0.24795000 1.0 O O16 1 0.03336200 0.94580700 0.75161400 1.0 O O17 1 0.04434100 0.38682000 0.24965200 1.0 O O18 1 0.08547600 0.54130500 0.75092800 1.0 O O19 1 0.15587900 0.79922200 0.06285000 1.0 O O20 1 0.15565200 0.79962500 0.43747300 1.0 O O21 1 0.21350300 0.12136500 0.74916300 1.0 O O22 1 0.23965500 0.44059800 0.24982400 1.0 O O23 1 0.25956700 0.56412700 0.74844800 1.0 O O24 1 0.28577500 0.88467600 0.24877000 1.0 O O25 1 0.34362700 0.20736800 0.56068800 1.0 O O26 1 0.34310600 0.20751400 0.93572900 1.0 O O27 1 0.42030200 0.46791000 0.24669700 1.0 O O28 1 0.45847000 0.61019200 0.74193600 1.0 O O29 1 0.45332300 0.05508200 0.24860900 1.0 O O30 1 0.53574200 0.94637900 0.75077200 1.0 O O31 1 0.54882200 0.32829300 0.28226200 1.0 O O32 1 0.58870500 0.54211700 0.72911400 1.0 O O33 1 0.66267600 0.79576700 0.05824600 1.0 O O34 1 0.65875700 0.84075300 0.44034200 1.0 O O35 1 0.71092600 0.14008900 0.73313700 1.0 O O36 1 0.73200300 0.43492800 0.28283200 1.0 O O37 1 0.76342200 0.57094400 0.74107200 1.0 O O38 1 0.78941300 0.86815600 0.25162000 1.0 O O39 1 0.84627300 0.19912200 0.56595000 1.0 O O40 1 0.83872600 0.20418300 0.94240900 1.0 O O41 1 0.91414600 0.45448000 0.24678400 1.0 O O42 1 0.95533600 0.61026300 0.75201700 1.0 O O43 1 0.96698600 0.05053700 0.24747500 1.0