# generated using pymatgen data_Li3Mn2(CO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.63019000 _cell_length_b 11.70386800 _cell_length_c 5.79366100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Mn2(CO5)2 _chemical_formula_sum 'Li12 Mn8 C8 O40' _cell_volume 653.00626925 _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 0.99683200 0.00187700 0.75000000 1.0 Li Li1 1 0.00134800 0.49555500 0.99774500 1.0 Li Li2 1 0.00134800 0.49555500 0.50225500 1.0 Li Li3 1 0.00167100 0.27938000 0.25000000 1.0 Li Li4 1 0.49832900 0.77938000 0.25000000 1.0 Li Li5 1 0.50316800 0.50187700 0.75000000 1.0 Li Li6 1 0.49865200 0.99555600 0.99774500 1.0 Li Li7 1 0.49865200 0.99555600 0.50225500 1.0 Li Li8 1 0.50248600 0.21914200 0.25000000 1.0 Li Li9 1 0.50567900 0.21884500 0.75000000 1.0 Li Li10 1 0.99751400 0.71914200 0.25000000 1.0 Li Li11 1 0.99432100 0.71884500 0.75000000 1.0 Mn Mn12 1 0.24464100 0.11178800 0.99912800 1.0 Mn Mn13 1 0.24464100 0.11178800 0.50087200 1.0 Mn Mn14 1 0.25535900 0.61178800 0.99912800 1.0 Mn Mn15 1 0.25535900 0.61178800 0.50087200 1.0 Mn Mn16 1 0.74422800 0.38830600 0.00039800 1.0 Mn Mn17 1 0.74422800 0.38830600 0.49960200 1.0 Mn Mn18 1 0.75577200 0.88830600 0.00039800 1.0 Mn Mn19 1 0.75577200 0.88830600 0.49960200 1.0 C C20 1 0.23905600 0.86227200 0.49926700 1.0 C C21 1 0.23905600 0.86227200 0.00073300 1.0 C C22 1 0.26094400 0.36227200 0.00073300 1.0 C C23 1 0.26094400 0.36227200 0.49926700 1.0 C C24 1 0.74203800 0.63890400 0.00001000 1.0 C C25 1 0.74203800 0.63890400 0.49999000 1.0 C C26 1 0.75796200 0.13890400 0.00001000 1.0 C C27 1 0.75796200 0.13890400 0.49999000 1.0 O O28 1 0.12812800 0.14878200 0.25000000 1.0 O O29 1 0.12498300 0.14344400 0.75000000 1.0 O O30 1 0.13023500 0.57691100 0.25000000 1.0 O O31 1 0.12976200 0.57768300 0.75000000 1.0 O O32 1 0.13071100 0.36188500 0.01054000 1.0 O O33 1 0.13071100 0.36188500 0.48946000 1.0 O O34 1 0.16328400 0.95521100 0.99189800 1.0 O O35 1 0.16328400 0.95521100 0.50810200 1.0 O O36 1 0.16482500 0.76692600 0.99900600 1.0 O O37 1 0.16482500 0.76692600 0.50099400 1.0 O O38 1 0.33517500 0.26692600 0.99900600 1.0 O O39 1 0.33517500 0.26692600 0.50099400 1.0 O O40 1 0.33671600 0.45521100 0.99189800 1.0 O O41 1 0.33671600 0.45521100 0.50810200 1.0 O O42 1 0.36928900 0.86188500 0.01054000 1.0 O O43 1 0.36928900 0.86188500 0.48946000 1.0 O O44 1 0.36976500 0.07691100 0.25000000 1.0 O O45 1 0.37023800 0.07768300 0.75000000 1.0 O O46 1 0.37187200 0.64878200 0.25000000 1.0 O O47 1 0.37501700 0.64344400 0.75000000 1.0 O O48 1 0.62780700 0.35163000 0.25000000 1.0 O O49 1 0.62140200 0.35591000 0.75000000 1.0 O O50 1 0.62959500 0.92274000 0.25000000 1.0 O O51 1 0.63537900 0.92609900 0.75000000 1.0 O O52 1 0.62567700 0.13767500 0.99995700 1.0 O O53 1 0.62567700 0.13767500 0.50004300 1.0 O O54 1 0.66635900 0.54625400 0.99546100 1.0 O O55 1 0.66635900 0.54625400 0.50453900 1.0 O O56 1 0.67020500 0.73339300 0.00461600 1.0 O O57 1 0.67020500 0.73339300 0.49538400 1.0 O O58 1 0.82979500 0.23339300 0.00461600 1.0 O O59 1 0.82979500 0.23339300 0.49538400 1.0 O O60 1 0.83364100 0.04625400 0.99546100 1.0 O O61 1 0.83364100 0.04625400 0.50453900 1.0 O O62 1 0.87432300 0.63767500 0.99995700 1.0 O O63 1 0.87432300 0.63767500 0.50004300 1.0 O O64 1 0.87040500 0.42274000 0.25000000 1.0 O O65 1 0.86462100 0.42609900 0.75000000 1.0 O O66 1 0.87219300 0.85163000 0.25000000 1.0 O O67 1 0.87859800 0.85591000 0.75000000 1.0