# generated using pymatgen data_Mn4Al19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71267600 _cell_length_b 12.71267600 _cell_length_c 12.71267600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn4Al19 _chemical_formula_sum 'Mn24 Al114' _cell_volume 2054.52266010 _cell_formula_units_Z 6 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 0.32770900 0.20278700 0.00000000 1.0 Mn Mn1 1 0.00000000 0.32770900 0.20278700 1.0 Mn Mn2 1 0.20278700 0.00000000 0.32770900 1.0 Mn Mn3 1 0.79721300 0.00000000 0.32770900 1.0 Mn Mn4 1 0.00000000 0.67229100 0.79721300 1.0 Mn Mn5 1 0.79721300 0.00000000 0.67229100 1.0 Mn Mn6 1 0.00000000 0.67229100 0.20278700 1.0 Mn Mn7 1 0.00000000 0.32770900 0.79721300 1.0 Mn Mn8 1 0.20278700 0.00000000 0.67229100 1.0 Mn Mn9 1 0.32770900 0.79721300 0.00000000 1.0 Mn Mn10 1 0.67229100 0.20278700 0.00000000 1.0 Mn Mn11 1 0.67229100 0.79721300 0.00000000 1.0 Mn Mn12 1 0.17512400 0.29699100 0.50000000 1.0 Mn Mn13 1 0.50000000 0.17512400 0.29699100 1.0 Mn Mn14 1 0.29699100 0.50000000 0.17512400 1.0 Mn Mn15 1 0.70300900 0.50000000 0.17512400 1.0 Mn Mn16 1 0.50000000 0.82487600 0.70300900 1.0 Mn Mn17 1 0.70300900 0.50000000 0.82487600 1.0 Mn Mn18 1 0.50000000 0.82487600 0.29699100 1.0 Mn Mn19 1 0.50000000 0.17512400 0.70300900 1.0 Mn Mn20 1 0.29699100 0.50000000 0.82487600 1.0 Mn Mn21 1 0.17512400 0.70300900 0.50000000 1.0 Mn Mn22 1 0.82487600 0.29699100 0.50000000 1.0 Mn Mn23 1 0.82487600 0.70300900 0.50000000 1.0 Al Al24 1 0.36252200 0.00000000 0.00000000 1.0 Al Al25 1 0.00000000 0.36252200 0.00000000 1.0 Al Al26 1 0.00000000 0.00000000 0.36252200 1.0 Al Al27 1 0.00000000 0.63747800 0.00000000 1.0 Al Al28 1 0.00000000 0.00000000 0.63747800 1.0 Al Al29 1 0.63747800 0.00000000 0.00000000 1.0 Al Al30 1 0.11854600 0.50000000 0.50000000 1.0 Al Al31 1 0.50000000 0.11854600 0.50000000 1.0 Al Al32 1 0.50000000 0.50000000 0.11854600 1.0 Al Al33 1 0.50000000 0.88145400 0.50000000 1.0 Al Al34 1 0.50000000 0.50000000 0.88145400 1.0 Al Al35 1 0.88145400 0.50000000 0.50000000 1.0 Al Al36 1 0.30118000 0.00000000 0.50000000 1.0 Al Al37 1 0.50000000 0.30118000 0.00000000 1.0 Al Al38 1 0.00000000 0.50000000 0.30118000 1.0 Al Al39 1 0.50000000 0.69882000 0.00000000 1.0 Al Al40 1 0.00000000 0.50000000 0.69882000 1.0 Al Al41 1 0.69882000 0.00000000 0.50000000 1.0 Al Al42 1 0.16876300 0.10502700 0.00000000 1.0 Al Al43 1 0.00000000 0.16876300 0.10502700 1.0 Al Al44 1 0.10502700 0.00000000 0.16876300 1.0 Al Al45 1 0.89497300 0.00000000 0.16876300 1.0 Al Al46 1 0.00000000 0.83123700 0.89497300 1.0 Al Al47 1 0.89497300 0.00000000 0.83123700 1.0 Al Al48 1 0.00000000 0.83123700 0.10502700 1.0 Al Al49 1 0.00000000 0.16876300 0.89497300 1.0 Al Al50 1 0.10502700 0.00000000 0.83123700 1.0 Al Al51 1 0.16876300 0.89497300 0.00000000 1.0 Al Al52 1 0.83123700 0.10502700 0.00000000 1.0 Al Al53 1 0.83123700 0.89497300 0.00000000 1.0 Al Al54 1 0.32907600 0.39569000 0.50000000 1.0 Al Al55 1 0.50000000 0.32907600 0.39569000 1.0 Al Al56 1 0.39569000 0.50000000 0.32907600 1.0 Al Al57 1 0.60431000 0.50000000 0.32907600 1.0 Al Al58 1 0.50000000 0.67092400 0.60431000 1.0 Al Al59 1 0.60431000 0.50000000 0.67092400 1.0 Al Al60 1 0.50000000 0.67092400 0.39569000 1.0 Al Al61 1 0.50000000 0.32907600 0.60431000 1.0 Al Al62 1 0.39569000 0.50000000 0.67092400 1.0 Al Al63 1 0.32907600 0.60431000 0.50000000 1.0 Al Al64 1 0.67092400 0.39569000 0.50000000 1.0 Al Al65 1 0.67092400 0.60431000 0.50000000 1.0 Al Al66 1 0.32163000 0.40318500 0.00000000 1.0 Al Al67 1 0.00000000 0.32163000 0.40318500 1.0 Al Al68 1 0.40318500 0.00000000 0.32163000 1.0 Al Al69 1 0.59681500 0.00000000 0.32163000 1.0 Al Al70 1 0.00000000 0.67837000 0.59681500 1.0 Al Al71 1 0.59681500 0.00000000 0.67837000 1.0 Al Al72 1 0.00000000 0.67837000 0.40318500 1.0 Al Al73 1 0.00000000 0.32163000 0.59681500 1.0 Al Al74 1 0.40318500 0.00000000 0.67837000 1.0 Al Al75 1 0.32163000 0.59681500 0.00000000 1.0 Al Al76 1 0.67837000 0.40318500 0.00000000 1.0 Al Al77 1 0.67837000 0.59681500 0.00000000 1.0 Al Al78 1 0.12620600 0.11011900 0.50000000 1.0 Al Al79 1 0.50000000 0.12620600 0.11011900 1.0 Al Al80 1 0.11011900 0.50000000 0.12620600 1.0 Al Al81 1 0.88988100 0.50000000 0.12620600 1.0 Al Al82 1 0.50000000 0.87379400 0.88988100 1.0 Al Al83 1 0.88988100 0.50000000 0.87379400 1.0 Al Al84 1 0.50000000 0.87379400 0.11011900 1.0 Al Al85 1 0.50000000 0.12620600 0.88988100 1.0 Al Al86 1 0.11011900 0.50000000 0.87379400 1.0 Al Al87 1 0.12620600 0.88988100 0.50000000 1.0 Al Al88 1 0.87379400 0.11011900 0.50000000 1.0 Al Al89 1 0.87379400 0.88988100 0.50000000 1.0 Al Al90 1 0.11883800 0.18584100 0.30039000 1.0 Al Al91 1 0.30039000 0.11883800 0.18584100 1.0 Al Al92 1 0.18584100 0.30039000 0.11883800 1.0 Al Al93 1 0.81415900 0.69961000 0.11883800 1.0 Al Al94 1 0.30039000 0.88116200 0.81415900 1.0 Al Al95 1 0.81415900 0.30039000 0.88116200 1.0 Al Al96 1 0.69961000 0.88116200 0.18584100 1.0 Al Al97 1 0.69961000 0.11883800 0.81415900 1.0 Al Al98 1 0.18584100 0.69961000 0.88116200 1.0 Al Al99 1 0.11883800 0.81415900 0.69961000 1.0 Al Al100 1 0.88116200 0.18584100 0.69961000 1.0 Al Al101 1 0.88116200 0.81415900 0.30039000 1.0 Al Al102 1 0.88116200 0.81415900 0.69961000 1.0 Al Al103 1 0.69961000 0.88116200 0.81415900 1.0 Al Al104 1 0.81415900 0.69961000 0.88116200 1.0 Al Al105 1 0.18584100 0.30039000 0.88116200 1.0 Al Al106 1 0.69961000 0.11883800 0.18584100 1.0 Al Al107 1 0.18584100 0.69961000 0.11883800 1.0 Al Al108 1 0.30039000 0.11883800 0.81415900 1.0 Al Al109 1 0.30039000 0.88116200 0.18584100 1.0 Al Al110 1 0.81415900 0.30039000 0.11883800 1.0 Al Al111 1 0.88116200 0.18584100 0.30039000 1.0 Al Al112 1 0.11883800 0.81415900 0.30039000 1.0 Al Al113 1 0.11883800 0.18584100 0.69961000 1.0 Al Al114 1 0.38814800 0.31500400 0.19427600 1.0 Al Al115 1 0.19427600 0.38814800 0.31500400 1.0 Al Al116 1 0.31500400 0.19427600 0.38814800 1.0 Al Al117 1 0.68499600 0.80572400 0.38814800 1.0 Al Al118 1 0.19427600 0.61185200 0.68499600 1.0 Al Al119 1 0.68499600 0.19427600 0.61185200 1.0 Al Al120 1 0.80572400 0.61185200 0.31500400 1.0 Al Al121 1 0.80572400 0.38814800 0.68499600 1.0 Al Al122 1 0.31500400 0.80572400 0.61185200 1.0 Al Al123 1 0.38814800 0.68499600 0.80572400 1.0 Al Al124 1 0.61185200 0.31500400 0.80572400 1.0 Al Al125 1 0.61185200 0.68499600 0.19427600 1.0 Al Al126 1 0.61185200 0.68499600 0.80572400 1.0 Al Al127 1 0.80572400 0.61185200 0.68499600 1.0 Al Al128 1 0.68499600 0.80572400 0.61185200 1.0 Al Al129 1 0.31500400 0.19427600 0.61185200 1.0 Al Al130 1 0.80572400 0.38814800 0.31500400 1.0 Al Al131 1 0.31500400 0.80572400 0.38814800 1.0 Al Al132 1 0.19427600 0.38814800 0.68499600 1.0 Al Al133 1 0.19427600 0.61185200 0.31500400 1.0 Al Al134 1 0.68499600 0.19427600 0.38814800 1.0 Al Al135 1 0.61185200 0.31500400 0.19427600 1.0 Al Al136 1 0.38814800 0.68499600 0.19427600 1.0 Al Al137 1 0.38814800 0.31500400 0.80572400 1.0