# generated using pymatgen data_LiFePCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43013300 _cell_length_b 5.20294800 _cell_length_c 8.45524431 _cell_angle_alpha 84.13223565 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiFePCO7 _chemical_formula_sum 'Li2 Fe2 P2 C2 O14' _cell_volume 281.39354526 _cell_formula_units_Z 2 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 0.25000000 0.77175700 0.11150700 1.0 Li Li1 1 0.75000000 0.22824300 0.88849300 1.0 Fe Fe2 1 0.75000000 0.80058900 0.33409000 1.0 Fe Fe3 1 0.25000000 0.19941100 0.66591000 1.0 P P4 1 0.25000000 0.73489400 0.42363900 1.0 P P5 1 0.75000000 0.26510600 0.57636100 1.0 C C6 1 0.75000000 0.70245700 0.04409600 1.0 C C7 1 0.25000000 0.29754300 0.95590400 1.0 O O8 1 0.75000000 0.94349600 0.06895900 1.0 O O9 1 0.25000000 0.38529100 0.08951600 1.0 O O10 1 0.75000000 0.53934600 0.17233100 1.0 O O11 1 0.06255000 0.80052900 0.31054700 1.0 O O12 1 0.43745000 0.80052900 0.31054700 1.0 O O13 1 0.75000000 0.11735100 0.42805800 1.0 O O14 1 0.25000000 0.44336200 0.48117300 1.0 O O15 1 0.75000000 0.55663800 0.51882700 1.0 O O16 1 0.25000000 0.88264900 0.57194200 1.0 O O17 1 0.56255000 0.19947100 0.68945300 1.0 O O18 1 0.93745000 0.19947100 0.68945300 1.0 O O19 1 0.25000000 0.46065400 0.82766900 1.0 O O20 1 0.75000000 0.61470900 0.91048400 1.0 O O21 1 0.25000000 0.05650400 0.93104100 1.0