# generated using pymatgen data_LiFePCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26365100 _cell_length_b 8.28513172 _cell_length_c 8.43286739 _cell_angle_alpha 93.50379410 _cell_angle_beta 93.23349895 _cell_angle_gamma 102.35090392 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFePCO7 _chemical_formula_sum 'Li4 Fe4 P4 C4 O28' _cell_volume 561.51223625 _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 0.23753200 0.98760700 0.10733700 1.0 Li Li1 1 0.60548100 0.15590700 0.28256700 1.0 Li Li2 1 0.26114900 0.51173800 0.89297600 1.0 Li Li3 1 0.76877900 0.01018600 0.88696500 1.0 Fe Fe4 1 0.47433300 0.71895300 0.33430600 1.0 Fe Fe5 1 0.97948200 0.22550700 0.33753400 1.0 Fe Fe6 1 0.02485300 0.77227600 0.66078400 1.0 Fe Fe7 1 0.52345400 0.27658300 0.66703600 1.0 P P8 1 0.75487300 0.50431300 0.42345600 1.0 P P9 1 0.26311000 0.00843500 0.42157600 1.0 P P10 1 0.73718600 0.98901800 0.57607100 1.0 P P11 1 0.23851200 0.49228500 0.57903100 1.0 C C12 1 0.52842600 0.77708900 0.04646500 1.0 C C13 1 0.01988900 0.27784400 0.04730300 1.0 C C14 1 0.97795600 0.73066400 0.95498400 1.0 C C15 1 0.48045900 0.21699700 0.95397800 1.0 O O16 1 0.40868300 0.65510300 0.07400700 1.0 O O17 1 0.90242200 0.15362100 0.07676800 1.0 O O18 1 0.94852100 0.69913200 0.09693200 1.0 O O19 1 0.60776500 0.86235800 0.17466700 1.0 O O20 1 0.45600100 0.17048600 0.09206200 1.0 O O21 1 0.10187100 0.36192400 0.17414700 1.0 O O22 1 0.62554000 0.56723800 0.31964300 1.0 O O23 1 0.79837100 0.36005700 0.31935400 1.0 O O24 1 0.32120600 0.88290800 0.30470900 1.0 O O25 1 0.13544200 0.07368200 0.31364400 1.0 O O26 1 0.90838800 0.64399300 0.47432600 1.0 O O27 1 0.80100100 0.06602100 0.42173500 1.0 O O28 1 0.30884700 0.56529400 0.42791500 1.0 O O29 1 0.41946600 0.15208600 0.46897300 1.0 O O30 1 0.58730900 0.84538700 0.52220400 1.0 O O31 1 0.68294800 0.43804200 0.57918700 1.0 O O32 1 0.19060100 0.93641900 0.57071700 1.0 O O33 1 0.09017300 0.34636500 0.52445500 1.0 O O34 1 0.86951600 0.92822400 0.67936300 1.0 O O35 1 0.18044300 0.61916200 0.69289800 1.0 O O36 1 0.68073200 0.11636900 0.69097300 1.0 O O37 1 0.36545300 0.42872500 0.68764300 1.0 O O38 1 0.88986800 0.64231300 0.83660600 1.0 O O39 1 0.57045200 0.81949200 0.91170700 1.0 O O40 1 0.38768800 0.14184500 0.82857100 1.0 O O41 1 0.06105500 0.31733500 0.91164900 1.0 O O42 1 0.59482400 0.33792200 0.91524800 1.0 O O43 1 0.09670100 0.85184900 0.92171100 1.0