# generated using pymatgen data_Mn8Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45640000 _cell_length_b 7.51006800 _cell_length_c 21.53213000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn8Sn5 _chemical_formula_sum 'Mn32 Sn20' _cell_volume 882.34222431 _cell_formula_units_Z 4 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 0.83892700 0.69891000 1.0 Mn Mn1 1 0.75000000 0.16107300 0.30109000 1.0 Mn Mn2 1 0.75000000 0.66107300 0.19891000 1.0 Mn Mn3 1 0.25000000 0.33892700 0.80109000 1.0 Mn Mn4 1 0.00644800 0.51240900 0.70355100 1.0 Mn Mn5 1 0.99355200 0.48759100 0.29644900 1.0 Mn Mn6 1 0.99355200 0.98759100 0.20355100 1.0 Mn Mn7 1 0.50644800 0.48759100 0.29644900 1.0 Mn Mn8 1 0.00644800 0.01240900 0.79644900 1.0 Mn Mn9 1 0.49355200 0.51240900 0.70355100 1.0 Mn Mn10 1 0.49355200 0.01240900 0.79644900 1.0 Mn Mn11 1 0.50644800 0.98759100 0.20355100 1.0 Mn Mn12 1 0.25000000 0.84035600 0.10273300 1.0 Mn Mn13 1 0.75000000 0.15964400 0.89726700 1.0 Mn Mn14 1 0.75000000 0.65964400 0.60273300 1.0 Mn Mn15 1 0.25000000 0.34035600 0.39726700 1.0 Mn Mn16 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn17 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn18 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn19 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn20 1 0.25000000 0.33496400 0.00268900 1.0 Mn Mn21 1 0.75000000 0.66503600 0.99731100 1.0 Mn Mn22 1 0.75000000 0.16503600 0.50268900 1.0 Mn Mn23 1 0.25000000 0.83496400 0.49731100 1.0 Mn Mn24 1 0.99976400 0.97913000 0.59775700 1.0 Mn Mn25 1 0.00023600 0.02087000 0.40224300 1.0 Mn Mn26 1 0.00023600 0.52087000 0.09775700 1.0 Mn Mn27 1 0.49976400 0.02087000 0.40224300 1.0 Mn Mn28 1 0.99976400 0.47913000 0.90224300 1.0 Mn Mn29 1 0.50023600 0.97913000 0.59775700 1.0 Mn Mn30 1 0.50023600 0.47913000 0.90224300 1.0 Mn Mn31 1 0.49976400 0.52087000 0.09775700 1.0 Sn Sn32 1 0.25000000 0.68602500 0.98950900 1.0 Sn Sn33 1 0.75000000 0.31397500 0.01049100 1.0 Sn Sn34 1 0.75000000 0.81397500 0.48950900 1.0 Sn Sn35 1 0.25000000 0.18602500 0.51049100 1.0 Sn Sn36 1 0.25000000 0.65392000 0.20663800 1.0 Sn Sn37 1 0.75000000 0.34608000 0.79336200 1.0 Sn Sn38 1 0.75000000 0.84608000 0.70663800 1.0 Sn Sn39 1 0.25000000 0.15392000 0.29336200 1.0 Sn Sn40 1 0.25000000 0.69009200 0.38586700 1.0 Sn Sn41 1 0.75000000 0.30990800 0.61413300 1.0 Sn Sn42 1 0.75000000 0.80990800 0.88586700 1.0 Sn Sn43 1 0.25000000 0.19009200 0.11413300 1.0 Sn Sn44 1 0.25000000 0.68697300 0.81071600 1.0 Sn Sn45 1 0.75000000 0.31302700 0.18928400 1.0 Sn Sn46 1 0.75000000 0.81302700 0.31071600 1.0 Sn Sn47 1 0.25000000 0.18697300 0.68928400 1.0 Sn Sn48 1 0.25000000 0.63116700 0.59948600 1.0 Sn Sn49 1 0.75000000 0.36883300 0.40051400 1.0 Sn Sn50 1 0.75000000 0.86883300 0.09948600 1.0 Sn Sn51 1 0.25000000 0.13116700 0.90051400 1.0