# generated using pymatgen data_Mn5Si2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68791300 _cell_length_b 8.68791300 _cell_length_c 8.83005600 _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 666.49114604 _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 0.92132800 0.32413800 0.42332000 1.0 Mn Mn1 1 0.07867200 0.67586200 0.92332000 1.0 Mn Mn2 1 0.82413800 0.57867200 0.17332000 1.0 Mn Mn3 1 0.17586200 0.42132800 0.67332000 1.0 Mn Mn4 1 0.67586200 0.07867200 0.07668000 1.0 Mn Mn5 1 0.32413800 0.92132800 0.57668000 1.0 Mn Mn6 1 0.57867200 0.82413800 0.82668000 1.0 Mn Mn7 1 0.42132800 0.17586200 0.32668000 1.0 Mn Mn8 1 0.67151500 0.26859400 0.59584100 1.0 Mn Mn9 1 0.32848500 0.73140600 0.09584100 1.0 Mn Mn10 1 0.76859400 0.82848500 0.34584100 1.0 Mn Mn11 1 0.23140600 0.17151500 0.84584100 1.0 Mn Mn12 1 0.73140600 0.32848500 0.90415900 1.0 Mn Mn13 1 0.26859400 0.67151500 0.40415900 1.0 Mn Mn14 1 0.82848500 0.76859400 0.65415900 1.0 Mn Mn15 1 0.17151500 0.23140600 0.15415900 1.0 Mn Mn16 1 0.63250700 0.36749300 0.25000000 1.0 Mn Mn17 1 0.36749300 0.63250700 0.75000000 1.0 Mn Mn18 1 0.86749300 0.86749300 0.00000000 1.0 Mn Mn19 1 0.13250700 0.13250700 0.50000000 1.0 Mn Mn20 1 0.95874600 0.04125400 0.25000000 1.0 Mn Mn21 1 0.04125400 0.95874600 0.75000000 1.0 Mn Mn22 1 0.54125400 0.54125400 0.00000000 1.0 Mn Mn23 1 0.45874600 0.45874600 0.50000000 1.0 Mn Mn24 1 0.87027100 0.04593300 0.53347900 1.0 Mn Mn25 1 0.12972900 0.95406700 0.03347900 1.0 Mn Mn26 1 0.54593300 0.62972900 0.28347900 1.0 Mn Mn27 1 0.45406700 0.37027100 0.78347900 1.0 Mn Mn28 1 0.95406700 0.12972900 0.96652100 1.0 Mn Mn29 1 0.04593300 0.87027100 0.46652100 1.0 Mn Mn30 1 0.62972900 0.54593300 0.71652100 1.0 Mn Mn31 1 0.37027100 0.45406700 0.21652100 1.0 Mn Mn32 1 0.95925500 0.22382700 0.70499100 1.0 Mn Mn33 1 0.04074500 0.77617300 0.20499100 1.0 Mn Mn34 1 0.72382700 0.54074500 0.45499100 1.0 Mn Mn35 1 0.27617300 0.45925500 0.95499100 1.0 Mn Mn36 1 0.77617300 0.04074500 0.79500900 1.0 Mn Mn37 1 0.22382700 0.95925500 0.29500900 1.0 Mn Mn38 1 0.54074500 0.72382700 0.54500900 1.0 Mn Mn39 1 0.45925500 0.27617300 0.04500900 1.0 Si Si40 1 0.88419600 0.47405500 0.66142300 1.0 Si Si41 1 0.11580400 0.52594500 0.16142300 1.0 Si Si42 1 0.97405500 0.61580400 0.41142300 1.0 Si Si43 1 0.02594500 0.38419600 0.91142300 1.0 Si Si44 1 0.52594500 0.11580400 0.83857700 1.0 Si Si45 1 0.47405500 0.88419600 0.33857700 1.0 Si Si46 1 0.61580400 0.97405500 0.58857700 1.0 Si Si47 1 0.38419600 0.02594500 0.08857700 1.0 Si Si48 1 0.87316600 0.29606200 0.15342900 1.0 Si Si49 1 0.12683400 0.70393800 0.65342900 1.0 Si Si50 1 0.79606200 0.62683400 0.90342900 1.0 Si Si51 1 0.20393800 0.37316600 0.40342900 1.0 Si Si52 1 0.70393800 0.12683400 0.34657100 1.0 Si Si53 1 0.29606200 0.87316600 0.84657100 1.0 Si Si54 1 0.62683400 0.79606200 0.09657100 1.0 Si Si55 1 0.37316600 0.20393800 0.59657100 1.0