# generated using pymatgen data_Mn5Si2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.53070700 _cell_length_b 8.72373700 _cell_length_c 8.72373700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5Si2 _chemical_formula_sum 'Mn40 Si16' _cell_volume 649.21740444 _cell_formula_units_Z 8 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 0.00000000 0.86373200 0.86373200 1.0 Mn Mn1 1 0.00000000 0.54638700 0.54638700 1.0 Mn Mn2 1 0.90208300 0.72369900 0.32601000 1.0 Mn Mn3 1 0.78562200 0.45670600 0.36906300 1.0 Mn Mn4 1 0.25000000 0.95361300 0.04638700 1.0 Mn Mn5 1 0.16972600 0.81428200 0.57961600 1.0 Mn Mn6 1 0.03562200 0.13093700 0.95670600 1.0 Mn Mn7 1 0.15208300 0.17399000 0.22369900 1.0 Mn Mn8 1 0.08027400 0.68571800 0.07961600 1.0 Mn Mn9 1 0.71437800 0.63093700 0.54329400 1.0 Mn Mn10 1 0.50000000 0.45361300 0.45361300 1.0 Mn Mn11 1 0.58027400 0.31428200 0.92038400 1.0 Mn Mn12 1 0.21437800 0.36906300 0.45670600 1.0 Mn Mn13 1 0.07392800 0.39811200 0.00925900 1.0 Mn Mn14 1 0.32392800 0.49074100 0.89811200 1.0 Mn Mn15 1 0.83027400 0.57961600 0.81428200 1.0 Mn Mn16 1 0.91972600 0.07961600 0.68571800 1.0 Mn Mn17 1 0.50000000 0.13626800 0.13626800 1.0 Mn Mn18 1 0.59791700 0.67399000 0.27630100 1.0 Mn Mn19 1 0.17607200 0.10188800 0.50925900 1.0 Mn Mn20 1 0.65208300 0.82601000 0.77630100 1.0 Mn Mn21 1 0.66972600 0.18571800 0.42038400 1.0 Mn Mn22 1 0.84791700 0.22369900 0.17399000 1.0 Mn Mn23 1 0.53562200 0.86906300 0.04329400 1.0 Mn Mn24 1 0.28562200 0.54329400 0.63093700 1.0 Mn Mn25 1 0.33027400 0.42038400 0.18571800 1.0 Mn Mn26 1 0.92607200 0.00925900 0.39811200 1.0 Mn Mn27 1 0.75000000 0.04638700 0.95361300 1.0 Mn Mn28 1 0.25000000 0.63626800 0.36373200 1.0 Mn Mn29 1 0.67607200 0.89811200 0.49074100 1.0 Mn Mn30 1 0.82392800 0.50925900 0.10188800 1.0 Mn Mn31 1 0.57392800 0.60188800 0.99074100 1.0 Mn Mn32 1 0.41972600 0.92038400 0.31428200 1.0 Mn Mn33 1 0.40208300 0.27630100 0.67399000 1.0 Mn Mn34 1 0.09791700 0.32601000 0.72369900 1.0 Mn Mn35 1 0.42607200 0.99074100 0.60188800 1.0 Mn Mn36 1 0.46437800 0.04329400 0.86906300 1.0 Mn Mn37 1 0.75000000 0.36373200 0.63626800 1.0 Mn Mn38 1 0.34791700 0.77630100 0.82601000 1.0 Mn Mn39 1 0.96437800 0.95670600 0.13093700 1.0 Si Si40 1 0.35122200 0.69272200 0.11615500 1.0 Si Si41 1 0.89877800 0.80727800 0.61615500 1.0 Si Si42 1 0.14877800 0.88384500 0.30727800 1.0 Si Si43 1 0.85122200 0.30727800 0.88384500 1.0 Si Si44 1 0.04811400 0.46740900 0.26549500 1.0 Si Si45 1 0.20188500 0.03259100 0.76549500 1.0 Si Si46 1 0.64877800 0.11615500 0.69272200 1.0 Si Si47 1 0.10122200 0.61615500 0.80727800 1.0 Si Si48 1 0.54811400 0.53259100 0.73450500 1.0 Si Si49 1 0.79811400 0.76549500 0.03259100 1.0 Si Si50 1 0.70188600 0.96740900 0.23450500 1.0 Si Si51 1 0.45188500 0.73450500 0.53259100 1.0 Si Si52 1 0.39877800 0.19272200 0.38384500 1.0 Si Si53 1 0.29811500 0.23450500 0.96740900 1.0 Si Si54 1 0.60122200 0.38384500 0.19272200 1.0 Si Si55 1 0.95188600 0.26549500 0.46740900 1.0