# generated using pymatgen data_Mg16Al12Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29331742 _cell_length_b 9.10012294 _cell_length_c 9.10012343 _cell_angle_alpha 109.03717521 _cell_angle_beta 109.90185476 _cell_angle_gamma 109.90185297 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg16Al12Hg _chemical_formula_sum 'Mg16 Al12 Hg1' _cell_volume 589.26097300 _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 0.00131900 0.34570400 0.99999900 1.0 Mg Mg1 1 0.31458500 0.60295600 0.00000000 1.0 Mg Mg2 1 0.00577400 0.00000000 0.00000100 1.0 Mg Mg3 1 0.59687700 0.30215100 0.00000100 1.0 Mg Mg4 1 0.68033100 0.68069800 0.27890800 1.0 Mg Mg5 1 0.59687800 0.00000100 0.30215000 1.0 Mg Mg6 1 0.99963400 0.59821000 0.31930300 1.0 Mg Mg7 1 0.00131900 0.00000000 0.34570300 1.0 Mg Mg8 1 0.71162900 0.39704500 0.39704500 1.0 Mg Mg9 1 0.40142500 0.72109400 0.40179100 1.0 Mg Mg10 1 0.99963500 0.31930200 0.59821000 1.0 Mg Mg11 1 0.31458400 0.00000000 0.60295600 1.0 Mg Mg12 1 0.65561500 0.65429600 0.65429600 1.0 Mg Mg13 1 0.68033200 0.27890800 0.68069800 1.0 Mg Mg14 1 0.29472700 0.69785000 0.69785000 1.0 Mg Mg15 1 0.40142500 0.40179100 0.72109400 1.0 Al Al16 1 0.81520900 0.62788200 0.99999900 1.0 Al Al17 1 0.64180300 0.81249800 0.00000100 1.0 Al Al18 1 0.36511800 0.37217700 0.18448200 1.0 Al Al19 1 0.82930300 0.18750200 0.18750100 1.0 Al Al20 1 0.18063400 0.81551600 0.18769300 1.0 Al Al21 1 0.18732700 0.37211900 0.37211800 1.0 Al Al22 1 0.36511800 0.18448200 0.37217600 1.0 Al Al23 1 0.99294200 0.81230700 0.62782400 1.0 Al Al24 1 0.81520800 0.00000000 0.62788300 1.0 Al Al25 1 0.99294200 0.62782400 0.81230700 1.0 Al Al26 1 0.64180300 0.00000000 0.81249800 1.0 Al Al27 1 0.18063400 0.18769400 0.81551600 1.0 Hg Hg28 1 0.33587200 0.00000000 0.99999900 1.0