# generated using pymatgen data_Li3Mn2P2(CO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48090100 _cell_length_b 8.31817437 _cell_length_c 10.12126793 _cell_angle_alpha 94.38921978 _cell_angle_beta 90.29365632 _cell_angle_gamma 90.27291829 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Mn2P2(CO7)2 _chemical_formula_sum 'Li6 Mn4 P4 C4 O28' _cell_volume 544.01545195 _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 0.97731600 0.25973000 0.87057200 1.0 Li Li1 1 0.51927200 0.25571100 0.87607200 1.0 Li Li2 1 0.55517300 0.27797600 0.38018700 1.0 Li Li3 1 0.03138800 0.72892300 0.63530400 1.0 Li Li4 1 0.46616200 0.73630100 0.11691600 1.0 Li Li5 1 0.24770200 0.90248300 0.38286400 1.0 Mn Mn6 1 0.25081300 0.32972000 0.59799900 1.0 Mn Mn7 1 0.24444900 0.33172600 0.10390500 1.0 Mn Mn8 1 0.74897300 0.67013300 0.89836000 1.0 Mn Mn9 1 0.74983800 0.67128400 0.39688200 1.0 P P10 1 0.75736700 0.41998600 0.63748500 1.0 P P11 1 0.74052900 0.42259500 0.13339600 1.0 P P12 1 0.24478700 0.57869800 0.86177400 1.0 P P13 1 0.25613400 0.57959800 0.36045400 1.0 C C14 1 0.24700600 0.04294600 0.64499600 1.0 C C15 1 0.26071000 0.05219000 0.14902200 1.0 C C16 1 0.75154300 0.95287400 0.85819400 1.0 C C17 1 0.74101000 0.95352500 0.35395600 1.0 O O18 1 0.25701500 0.08637700 0.52334400 1.0 O O19 1 0.75033100 0.09964800 0.83620300 1.0 O O20 1 0.24296700 0.09925100 0.02884100 1.0 O O21 1 0.25931400 0.17092200 0.73406900 1.0 O O22 1 0.72252900 0.09625200 0.32998500 1.0 O O23 1 0.26122200 0.17553500 0.23972900 1.0 O O24 1 0.94286300 0.31006600 0.60636500 1.0 O O25 1 0.56581500 0.32347500 0.58560800 1.0 O O26 1 0.93339300 0.32768800 0.08543000 1.0 O O27 1 0.55792800 0.31346900 0.08204400 1.0 O O28 1 0.24510200 0.40970100 0.92176200 1.0 O O29 1 0.74185300 0.45476500 0.79309600 1.0 O O30 1 0.26739800 0.41967200 0.42675000 1.0 O O31 1 0.72864800 0.45752800 0.28695700 1.0 O O32 1 0.24072400 0.54155400 0.70862700 1.0 O O33 1 0.77898900 0.58304200 0.57476600 1.0 O O34 1 0.26140800 0.53876000 0.20760000 1.0 O O35 1 0.72736100 0.58838500 0.07398000 1.0 O O36 1 0.05598700 0.67885400 0.90547600 1.0 O O37 1 0.43417400 0.67947900 0.91132100 1.0 O O38 1 0.43626400 0.69663400 0.39909500 1.0 O O39 1 0.06852500 0.68574800 0.40356700 1.0 O O40 1 0.76583600 0.83432600 0.76476500 1.0 O O41 1 0.22507600 0.90374300 0.67620100 1.0 O O42 1 0.73660900 0.83148100 0.26166300 1.0 O O43 1 0.73753500 0.89947800 0.97576800 1.0 O O44 1 0.27610200 0.91056300 0.18084600 1.0 O O45 1 0.76504600 0.90098200 0.47263400 1.0