# generated using pymatgen data_LiFePCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.24125500 _cell_length_b 8.28284091 _cell_length_c 8.48977786 _cell_angle_alpha 94.13790282 _cell_angle_beta 93.64495878 _cell_angle_gamma 102.12060757 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFePCO7 _chemical_formula_sum 'Li4 Fe4 P4 C4 O28' _cell_volume 563.28041722 _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 0.74318000 0.50196600 0.11111400 1.0 Li Li1 1 0.58951600 0.12862700 0.28841100 1.0 Li Li2 1 0.26395300 0.51334000 0.89076600 1.0 Li Li3 1 0.77148900 0.01280700 0.88438900 1.0 Fe Fe4 1 0.46915200 0.72005700 0.33511400 1.0 Fe Fe5 1 0.97804900 0.22164400 0.33580000 1.0 Fe Fe6 1 0.02697200 0.77507200 0.66305000 1.0 Fe Fe7 1 0.52056400 0.27068600 0.66313500 1.0 P P8 1 0.75546800 0.50645900 0.42232600 1.0 P P9 1 0.25438400 0.99844100 0.42312700 1.0 P P10 1 0.73606700 0.99390000 0.57529400 1.0 P P11 1 0.24127200 0.48846400 0.57793600 1.0 C C12 1 0.52629600 0.78401100 0.04889100 1.0 C C13 1 0.02602500 0.27486600 0.04882500 1.0 C C14 1 0.97030100 0.72409600 0.94597500 1.0 C C15 1 0.49362800 0.23073200 0.96093400 1.0 O O16 1 0.41365800 0.65421500 0.06872200 1.0 O O17 1 0.90244900 0.15523800 0.07188500 1.0 O O18 1 0.93474800 0.68736600 0.08194500 1.0 O O19 1 0.59486000 0.87213000 0.18060100 1.0 O O20 1 0.47627500 0.19020600 0.10018100 1.0 O O21 1 0.10980200 0.35215200 0.17824800 1.0 O O22 1 0.63501700 0.57585200 0.30999900 1.0 O O23 1 0.80489600 0.37122000 0.30719600 1.0 O O24 1 0.30624700 0.86408800 0.31397700 1.0 O O25 1 0.11881700 0.06085000 0.32700400 1.0 O O26 1 0.90857800 0.64550500 0.47872200 1.0 O O27 1 0.79273200 0.07609000 0.42342100 1.0 O O28 1 0.31947500 0.55477000 0.43003400 1.0 O O29 1 0.41324200 0.14129600 0.46618700 1.0 O O30 1 0.58932800 0.84721600 0.52108400 1.0 O O31 1 0.67498800 0.43201200 0.56608000 1.0 O O32 1 0.19376400 0.93495200 0.57970800 1.0 O O33 1 0.08836200 0.34791000 0.52150200 1.0 O O34 1 0.87232400 0.93678300 0.67597400 1.0 O O35 1 0.18632200 0.61904800 0.68980800 1.0 O O36 1 0.67854100 0.11941500 0.69299200 1.0 O O37 1 0.36291700 0.41962100 0.68909100 1.0 O O38 1 0.88598900 0.64060600 0.81941900 1.0 O O39 1 0.57706800 0.82749300 0.91886600 1.0 O O40 1 0.39940200 0.14780800 0.84158900 1.0 O O41 1 0.06692500 0.32137300 0.91690100 1.0 O O42 1 0.60558300 0.35548200 0.92746000 1.0 O O43 1 0.08814200 0.84288500 0.91050300 1.0