# generated using pymatgen data_Mg16Al12Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.24961436 _cell_length_b 9.14937727 _cell_length_c 9.14937808 _cell_angle_alpha 109.24822766 _cell_angle_beta 109.69330099 _cell_angle_gamma 109.69329067 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12Tl _chemical_formula_sum 'Mg16 Al12 Tl1' _cell_volume 594.41158763 _cell_formula_units_Z 1 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 Mg Mg0 1 0.60473500 0.31322300 0.00000000 1.0 Mg Mg1 1 0.00256400 0.00000000 0.99999900 1.0 Mg Mg2 1 0.00010800 0.34444200 0.99999900 1.0 Mg Mg3 1 0.31428600 0.60194200 0.00000000 1.0 Mg Mg4 1 0.68125600 0.68176700 0.28183700 1.0 Mg Mg5 1 0.60473500 0.00000000 0.31322200 1.0 Mg Mg6 1 0.99948900 0.60006900 0.31823400 1.0 Mg Mg7 1 0.00010900 0.99999900 0.34444100 1.0 Mg Mg8 1 0.71234400 0.39805900 0.39805800 1.0 Mg Mg9 1 0.39942100 0.71816500 0.39993300 1.0 Mg Mg10 1 0.99948900 0.31823400 0.60006900 1.0 Mg Mg11 1 0.31428600 0.00000000 0.60194200 1.0 Mg Mg12 1 0.65566800 0.65555700 0.65555700 1.0 Mg Mg13 1 0.68125600 0.28183600 0.68176700 1.0 Mg Mg14 1 0.29151200 0.68677800 0.68677800 1.0 Mg Mg15 1 0.39942100 0.39993200 0.71816500 1.0 Al Al16 1 0.63852800 0.81311000 0.00000000 1.0 Al Al17 1 0.81596000 0.63209200 0.00000000 1.0 Al Al18 1 0.36447200 0.37238600 0.18361800 1.0 Al Al19 1 0.82541700 0.18689000 0.18689000 1.0 Al Al20 1 0.18085300 0.81638100 0.18876700 1.0 Al Al21 1 0.18386700 0.36790800 0.36790800 1.0 Al Al22 1 0.36447200 0.18361800 0.37238600 1.0 Al Al23 1 0.99208800 0.81123200 0.62761600 1.0 Al Al24 1 0.81596000 0.00000000 0.63209200 1.0 Al Al25 1 0.99208800 0.62761500 0.81123300 1.0 Al Al26 1 0.63852800 0.00000000 0.81310900 1.0 Al Al27 1 0.18085300 0.18876700 0.81638000 1.0 Tl Tl28 1 0.34623700 0.00000000 0.99999900 1.0