# generated using pymatgen data_Nd5Mg41 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.63095422 _cell_length_b 11.63095422 _cell_length_c 11.63095422 _cell_angle_alpha 101.65052579 _cell_angle_beta 101.65052579 _cell_angle_gamma 126.59227684 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5Mg41 _chemical_formula_sum 'Nd5 Mg41' _cell_volume 1128.55737430 _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 Nd Nd0 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd1 1 0.76384500 0.57072400 0.33456800 1.0 Nd Nd2 1 0.23615500 0.42927600 0.66543200 1.0 Nd Nd3 1 0.42927600 0.76384500 0.19312100 1.0 Nd Nd4 1 0.57072400 0.23615500 0.80687900 1.0 Mg Mg5 1 0.50000000 0.50000000 0.00000000 1.0 Mg Mg6 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg7 1 0.50000000 0.50000000 0.50000000 1.0 Mg Mg8 1 0.50000000 0.00000000 0.00000000 1.0 Mg Mg9 1 0.00000000 0.50000000 0.00000000 1.0 Mg Mg10 1 0.00943700 0.59745700 0.60689400 1.0 Mg Mg11 1 0.99056300 0.40254300 0.39310600 1.0 Mg Mg12 1 0.40254300 0.00943700 0.41198000 1.0 Mg Mg13 1 0.59745700 0.99056300 0.58802000 1.0 Mg Mg14 1 0.87792100 0.77849400 0.65641500 1.0 Mg Mg15 1 0.12207900 0.22150600 0.34358500 1.0 Mg Mg16 1 0.22150600 0.87792100 0.09942700 1.0 Mg Mg17 1 0.77849400 0.12207900 0.90057300 1.0 Mg Mg18 1 0.65892500 0.78261600 0.44154000 1.0 Mg Mg19 1 0.34107500 0.21738400 0.55846000 1.0 Mg Mg20 1 0.21738400 0.65892500 0.87630900 1.0 Mg Mg21 1 0.78261600 0.34107500 0.12369100 1.0 Mg Mg22 1 0.92047600 0.08609200 0.71255600 1.0 Mg Mg23 1 0.37353600 0.20791900 0.28744400 1.0 Mg Mg24 1 0.20791900 0.92047600 0.83438300 1.0 Mg Mg25 1 0.08609200 0.37353600 0.16561700 1.0 Mg Mg26 1 0.07952400 0.91390800 0.28744400 1.0 Mg Mg27 1 0.62646400 0.79208100 0.71255600 1.0 Mg Mg28 1 0.79208100 0.07952400 0.16561700 1.0 Mg Mg29 1 0.91390800 0.62646400 0.83438300 1.0 Mg Mg30 1 0.76670900 0.82597600 0.21273000 1.0 Mg Mg31 1 0.61324600 0.55398000 0.78727000 1.0 Mg Mg32 1 0.55398000 0.76670900 0.94073300 1.0 Mg Mg33 1 0.82597600 0.61324600 0.05926700 1.0 Mg Mg34 1 0.23329100 0.17402400 0.78727000 1.0 Mg Mg35 1 0.38675400 0.44602000 0.21273000 1.0 Mg Mg36 1 0.44602000 0.23329100 0.05926700 1.0 Mg Mg37 1 0.17402400 0.38675400 0.94073300 1.0 Mg Mg38 1 0.18192300 0.89161900 0.55663600 1.0 Mg Mg39 1 0.33498200 0.62528700 0.44336400 1.0 Mg Mg40 1 0.62528700 0.18192300 0.29030500 1.0 Mg Mg41 1 0.89161900 0.33498200 0.70969500 1.0 Mg Mg42 1 0.81807700 0.10838100 0.44336400 1.0 Mg Mg43 1 0.66501800 0.37471300 0.55663600 1.0 Mg Mg44 1 0.37471300 0.81807700 0.70969500 1.0 Mg Mg45 1 0.10838100 0.66501800 0.29030500 1.0