# generated using pymatgen data_Mn3P3O13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21814300 _cell_length_b 7.43618400 _cell_length_c 10.47021091 _cell_angle_alpha 80.55048769 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3P3O13 _chemical_formula_sum 'Mn6 P6 O26' _cell_volume 477.56536544 _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 Mn Mn0 1 0.25000000 0.63186300 0.19681100 1.0 Mn Mn1 1 0.75000000 0.36813700 0.80318900 1.0 Mn Mn2 1 0.25000000 0.23431900 0.44743400 1.0 Mn Mn3 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn4 1 0.75000000 0.76568100 0.55256600 1.0 Mn Mn5 1 0.00000000 0.00000000 0.00000000 1.0 P P6 1 0.25000000 0.78677700 0.47371700 1.0 P P7 1 0.75000000 0.21322300 0.52628300 1.0 P P8 1 0.25000000 0.26060900 0.76822200 1.0 P P9 1 0.75000000 0.73939100 0.23177800 1.0 P P10 1 0.75000000 0.69335800 0.88328100 1.0 P P11 1 0.25000000 0.30664200 0.11671900 1.0 O O12 1 0.75000000 0.64841900 0.74122000 1.0 O O13 1 0.55359900 0.25931000 0.43524100 1.0 O O14 1 0.25000000 0.19733300 0.63752400 1.0 O O15 1 0.54499500 0.79734800 0.91099800 1.0 O O16 1 0.75000000 0.35160700 0.62306200 1.0 O O17 1 0.75000000 0.12538000 0.89984000 1.0 O O18 1 0.25000000 0.64839300 0.37693800 1.0 O O19 1 0.04499500 0.20265200 0.08900200 1.0 O O20 1 0.25000000 0.98110000 0.40014900 1.0 O O21 1 0.75000000 0.01890000 0.59985100 1.0 O O22 1 0.05446900 0.37226400 0.79729900 1.0 O O23 1 0.25000000 0.87462000 0.10016000 1.0 O O24 1 0.55446900 0.62773600 0.20270100 1.0 O O25 1 0.75000000 0.49135800 0.95349000 1.0 O O26 1 0.75000000 0.80266700 0.36247600 1.0 O O27 1 0.45500500 0.20265200 0.08900200 1.0 O O28 1 0.94640100 0.25931000 0.43524100 1.0 O O29 1 0.44640100 0.74069000 0.56475900 1.0 O O30 1 0.44553100 0.37226400 0.79729900 1.0 O O31 1 0.25000000 0.35158100 0.25878000 1.0 O O32 1 0.75000000 0.92017100 0.12179800 1.0 O O33 1 0.25000000 0.07982900 0.87820200 1.0 O O34 1 0.94553100 0.62773600 0.20270100 1.0 O O35 1 0.95500500 0.79734800 0.91099800 1.0 O O36 1 0.05359900 0.74069000 0.56475900 1.0 O O37 1 0.25000000 0.50864200 0.04651000 1.0