# generated using pymatgen data_Li3Mn2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46586300 _cell_length_b 9.43146700 _cell_length_c 10.05908890 _cell_angle_alpha 62.45965513 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Mn2P2(CO7)2 _chemical_formula_sum 'Li6 Mn4 P4 C4 O28' _cell_volume 543.91869682 _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 0.96087500 0.01196600 0.25030800 1.0 Li Li1 1 0.51253800 0.50124500 0.75213400 1.0 Li Li2 1 0.98650500 0.50333400 0.75005600 1.0 Li Li3 1 0.01253800 0.49875500 0.24786600 1.0 Li Li4 1 0.48650500 0.49666600 0.24994400 1.0 Li Li5 1 0.46087500 0.98803400 0.74969200 1.0 Mn Mn6 1 0.25308400 0.26538300 0.06530300 1.0 Mn Mn7 1 0.25417000 0.77719200 0.55889700 1.0 Mn Mn8 1 0.75417000 0.22280800 0.44110300 1.0 Mn Mn9 1 0.75308400 0.73461700 0.93469700 1.0 P P10 1 0.75079000 0.35044000 0.06897900 1.0 P P11 1 0.75064000 0.84450700 0.57772100 1.0 P P12 1 0.25064000 0.15549300 0.42227900 1.0 P P13 1 0.25079000 0.64956000 0.93102100 1.0 C C14 1 0.24221200 0.66678900 0.38242900 1.0 C C15 1 0.25484800 0.17113400 0.87744900 1.0 C C16 1 0.75484800 0.82886600 0.12255100 1.0 C C17 1 0.74221200 0.33321100 0.61757100 1.0 O O18 1 0.24730200 0.07928200 0.02235700 1.0 O O19 1 0.25450000 0.58016300 0.52929700 1.0 O O20 1 0.77021300 0.87322200 0.21984400 1.0 O O21 1 0.22679700 0.81925000 0.34299000 1.0 O O22 1 0.74688900 0.39058300 0.70789100 1.0 O O23 1 0.24823200 0.32624800 0.84602300 1.0 O O24 1 0.93820100 0.25030200 0.06608800 1.0 O O25 1 0.55936800 0.26096400 0.05841500 1.0 O O26 1 0.94144900 0.74347400 0.58454000 1.0 O O27 1 0.56460400 0.74716300 0.56821600 1.0 O O28 1 0.22952500 0.12846900 0.28190300 1.0 O O29 1 0.76845300 0.01464400 0.43997000 1.0 O O30 1 0.25520800 0.62646900 0.78737200 1.0 O O31 1 0.75741100 0.52220900 0.92964500 1.0 O O32 1 0.25741100 0.47779100 0.07035500 1.0 O O33 1 0.75520800 0.37353100 0.21262800 1.0 O O34 1 0.26845300 0.98535600 0.56003000 1.0 O O35 1 0.72952500 0.87153100 0.71809700 1.0 O O36 1 0.06460400 0.25283700 0.43178400 1.0 O O37 1 0.44144900 0.25652600 0.41546000 1.0 O O38 1 0.43820100 0.74969800 0.93391200 1.0 O O39 1 0.05936800 0.73903600 0.94158500 1.0 O O40 1 0.74823200 0.67375200 0.15397700 1.0 O O41 1 0.24688900 0.60941700 0.29210900 1.0 O O42 1 0.72679700 0.18075000 0.65701000 1.0 O O43 1 0.27021300 0.12677800 0.78015600 1.0 O O44 1 0.75450000 0.41983700 0.47070300 1.0 O O45 1 0.74730200 0.92071800 0.97764300 1.0