# generated using pymatgen data_Mn3Al9Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46652092 _cell_length_b 7.46654962 _cell_length_c 7.71050383 _cell_angle_alpha 89.99999937 _cell_angle_beta 90.00000350 _cell_angle_gamma 120.00005729 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3Al9Si _chemical_formula_sum 'Mn6 Al18 Si2' _cell_volume 372.26429146 _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 0.76689353 0.88344855 0.24999999 1.0 Mn Mn1 1 0.11654711 0.88344647 0.25000002 1.0 Mn Mn2 1 0.88344223 0.76688723 0.74999992 1.0 Mn Mn3 1 0.23312174 0.11656944 0.74999997 1.0 Mn Mn4 1 0.88344782 0.11656727 0.74999995 1.0 Mn Mn5 1 0.11654391 0.23310019 0.25000001 1.0 Al Al6 1 0.79714659 0.20284834 0.43819825 1.0 Al Al7 1 0.79714660 0.20284836 0.06180173 1.0 Al Al8 1 0.20285817 0.79714328 0.56179465 1.0 Al Al9 1 0.20285626 0.40571518 0.56179445 1.0 Al Al10 1 0.59428720 0.79714138 0.56180479 1.0 Al Al11 1 0.40571232 0.20285560 0.06179936 1.0 Al Al12 1 0.45832688 0.91665943 0.24999995 1.0 Al Al13 1 0.54167794 0.45833320 0.75000009 1.0 Al Al14 1 0.91666211 0.45833031 0.75000007 1.0 Al Al15 1 0.79714173 0.59428706 0.06180298 1.0 Al Al16 1 0.45832633 0.54166219 0.24999994 1.0 Al Al17 1 0.54167562 0.08333935 0.75000008 1.0 Al Al18 1 0.20285628 0.40571520 0.93820560 1.0 Al Al19 1 0.08333581 0.54166453 0.24999997 1.0 Al Al20 1 0.40571228 0.20285557 0.43820062 1.0 Al Al21 1 0.59428716 0.79714137 0.93819525 1.0 Al Al22 1 0.20285815 0.79714327 0.93820537 1.0 Al Al23 1 0.79714173 0.59428705 0.43819698 1.0 Si Si24 1 -0.00000324 0.00000307 0.00000018 1.0 Si Si25 1 -0.00000324 0.00000310 0.49999982 1.0