# generated using pymatgen data_LiMn3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22127100 _cell_length_b 7.50928300 _cell_length_c 10.57570101 _cell_angle_alpha 80.62680007 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMn3P3O13 _chemical_formula_sum 'Li2 Mn6 P6 O26' _cell_volume 487.47145901 _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 0.75000000 0.36648200 0.13042100 1.0 Li Li1 1 0.25000000 0.63351800 0.86957900 1.0 Mn Mn2 1 0.25000000 0.63458200 0.19794000 1.0 Mn Mn3 1 0.75000000 0.36541800 0.80206000 1.0 Mn Mn4 1 0.25000000 0.23548700 0.45060200 1.0 Mn Mn5 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn6 1 0.75000000 0.76451300 0.54939800 1.0 Mn Mn7 1 0.00000000 0.00000000 0.00000000 1.0 P P8 1 0.25000000 0.79006800 0.47251800 1.0 P P9 1 0.75000000 0.20993200 0.52748200 1.0 P P10 1 0.25000000 0.27054900 0.76971600 1.0 P P11 1 0.75000000 0.72945100 0.23028400 1.0 P P12 1 0.75000000 0.69416800 0.87637600 1.0 P P13 1 0.25000000 0.30583200 0.12362400 1.0 O O14 1 0.75000000 0.64589800 0.73805100 1.0 O O15 1 0.55464500 0.26157300 0.43737000 1.0 O O16 1 0.25000000 0.21926800 0.63712900 1.0 O O17 1 0.54190300 0.79378600 0.90164000 1.0 O O18 1 0.75000000 0.34031500 0.62872500 1.0 O O19 1 0.75000000 0.12945700 0.90711200 1.0 O O20 1 0.25000000 0.65968500 0.37127500 1.0 O O21 1 0.04190300 0.20621400 0.09836000 1.0 O O22 1 0.25000000 0.98472100 0.40506400 1.0 O O23 1 0.75000000 0.01527900 0.59493600 1.0 O O24 1 0.05843700 0.38920800 0.80015700 1.0 O O25 1 0.25000000 0.87054300 0.09288800 1.0 O O26 1 0.55843700 0.61079200 0.19984300 1.0 O O27 1 0.75000000 0.49643000 0.95239000 1.0 O O28 1 0.75000000 0.78073200 0.36287100 1.0 O O29 1 0.45809700 0.20621400 0.09836000 1.0 O O30 1 0.94535500 0.26157300 0.43737000 1.0 O O31 1 0.44535500 0.73842700 0.56263000 1.0 O O32 1 0.44156300 0.38920800 0.80015700 1.0 O O33 1 0.25000000 0.35410200 0.26194900 1.0 O O34 1 0.75000000 0.90621300 0.12790100 1.0 O O35 1 0.25000000 0.09378700 0.87209900 1.0 O O36 1 0.94156300 0.61079200 0.19984300 1.0 O O37 1 0.95809700 0.79378600 0.90164000 1.0 O O38 1 0.05464500 0.73842700 0.56263000 1.0 O O39 1 0.25000000 0.50357000 0.04761000 1.0