# generated using pymatgen data_Nd23Mg4Ni7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.96006588 _cell_length_b 9.96006588 _cell_length_c 22.52265946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000054 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd23Mg4Ni7 _chemical_formula_sum 'Nd46 Mg8 Ni14' _cell_volume 1934.97216472 _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 Nd Nd0 1 0.20748547 0.41497095 0.71892052 1.0 Nd Nd1 1 0.20748547 0.79251453 0.71892052 1.0 Nd Nd2 1 0.79251453 0.58502905 0.21892052 1.0 Nd Nd3 1 0.58502905 0.79251453 0.71892052 1.0 Nd Nd4 1 0.79251453 0.20748547 0.21892052 1.0 Nd Nd5 1 0.41497095 0.20748547 0.21892052 1.0 Nd Nd6 1 0.79211087 0.58422175 0.94788273 1.0 Nd Nd7 1 0.79211087 0.20788913 0.94788273 1.0 Nd Nd8 1 0.20788913 0.41577825 0.44788273 1.0 Nd Nd9 1 0.41577825 0.20788913 0.94788273 1.0 Nd Nd10 1 0.20788913 0.79211087 0.44788273 1.0 Nd Nd11 1 0.58422175 0.79211087 0.44788273 1.0 Nd Nd12 1 0.21074541 0.42149082 0.99115499 1.0 Nd Nd13 1 0.21074541 0.78925459 0.99115499 1.0 Nd Nd14 1 0.78925459 0.57850918 0.49115499 1.0 Nd Nd15 1 0.57850918 0.78925459 0.99115499 1.0 Nd Nd16 1 0.78925459 0.21074541 0.49115499 1.0 Nd Nd17 1 0.42149082 0.21074541 0.49115499 1.0 Nd Nd18 1 0.87129623 0.74259246 0.63451074 1.0 Nd Nd19 1 0.87129623 0.12870377 0.63451074 1.0 Nd Nd20 1 0.12870377 0.25740754 0.13451074 1.0 Nd Nd21 1 0.25740754 0.12870377 0.63451074 1.0 Nd Nd22 1 0.12870377 0.87129623 0.13451074 1.0 Nd Nd23 1 0.74259246 0.87129623 0.13451074 1.0 Nd Nd24 1 0.45776248 0.91552495 0.85614547 1.0 Nd Nd25 1 0.45776248 0.54223752 0.85614547 1.0 Nd Nd26 1 0.54223752 0.08447505 0.35614547 1.0 Nd Nd27 1 0.08447505 0.54223752 0.85614547 1.0 Nd Nd28 1 0.54223752 0.45776248 0.35614547 1.0 Nd Nd29 1 0.91552495 0.45776248 0.35614547 1.0 Nd Nd30 1 -0.00000000 -0.00000000 0.00037668 1.0 Nd Nd31 1 -0.00000000 -0.00000000 0.50037668 1.0 Nd Nd32 1 0.46008773 0.92017545 0.58527519 1.0 Nd Nd33 1 0.46008773 0.53991227 0.58527519 1.0 Nd Nd34 1 0.53991227 0.07982455 0.08527519 1.0 Nd Nd35 1 0.07982455 0.53991227 0.58527519 1.0 Nd Nd36 1 0.53991227 0.46008773 0.08527519 1.0 Nd Nd37 1 0.92017545 0.46008773 0.08527519 1.0 Nd Nd38 1 0.79466490 0.58932980 0.78180293 1.0 Nd Nd39 1 0.79466490 0.20533510 0.78180293 1.0 Nd Nd40 1 0.20533510 0.41067020 0.28180293 1.0 Nd Nd41 1 0.41067020 0.20533510 0.78180293 1.0 Nd Nd42 1 0.20533510 0.79466490 0.28180293 1.0 Nd Nd43 1 0.58932980 0.79466490 0.28180293 1.0 Nd Nd44 1 0.66666700 0.33333300 0.64498355 1.0 Nd Nd45 1 0.33333300 0.66666700 0.14498355 1.0 Mg Mg46 1 -0.00000000 -0.00000000 0.75018562 1.0 Mg Mg47 1 -0.00000000 -0.00000000 0.25018562 1.0 Mg Mg48 1 0.10563854 0.21127707 0.86268704 1.0 Mg Mg49 1 0.10563854 0.89436146 0.86268704 1.0 Mg Mg50 1 0.89436146 0.78872293 0.36268704 1.0 Mg Mg51 1 0.78872293 0.89436146 0.86268704 1.0 Mg Mg52 1 0.89436146 0.10563854 0.36268704 1.0 Mg Mg53 1 0.21127707 0.10563854 0.36268704 1.0 Ni Ni54 1 0.52096075 0.04192150 0.70975305 1.0 Ni Ni55 1 0.52096075 0.47903925 0.70975305 1.0 Ni Ni56 1 0.47903925 0.95807850 0.20975305 1.0 Ni Ni57 1 0.95807850 0.47903925 0.70975305 1.0 Ni Ni58 1 0.47903925 0.52096075 0.20975305 1.0 Ni Ni59 1 0.04192150 0.52096075 0.20975305 1.0 Ni Ni60 1 0.66666700 0.33333300 0.86389636 1.0 Ni Ni61 1 0.33333300 0.66666700 0.36389636 1.0 Ni Ni62 1 0.14322930 0.28645860 0.56429326 1.0 Ni Ni63 1 0.14322930 0.85677070 0.56429326 1.0 Ni Ni64 1 0.85677070 0.71354140 0.06429326 1.0 Ni Ni65 1 0.71354140 0.85677070 0.56429326 1.0 Ni Ni66 1 0.85677070 0.14322930 0.06429326 1.0 Ni Ni67 1 0.28645860 0.14322930 0.06429326 1.0