# generated using pymatgen data_CaNd18MgIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.17999638 _cell_length_b 11.17999638 _cell_length_c 6.48132029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaNd18MgIr12 _chemical_formula_sum 'Ca1 Nd18 Mg1 Ir12' _cell_volume 810.11525362 _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 Ca Ca0 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd1 1 0.09068788 0.28970384 0.11144840 1.0 Nd Nd2 1 0.79108873 0.41042367 0.11276282 1.0 Nd Nd3 1 0.20891127 0.58957633 0.11276282 1.0 Nd Nd4 1 0.90931212 0.71029616 0.11144840 1.0 Nd Nd5 1 0.41338849 0.78168201 0.38884596 1.0 Nd Nd6 1 0.58661151 0.21831799 0.38884596 1.0 Nd Nd7 1 0.29338377 0.08745390 0.38645513 1.0 Nd Nd8 1 0.70661623 0.91254610 0.38645513 1.0 Nd Nd9 1 0.41042367 0.20891127 0.88723718 1.0 Nd Nd10 1 0.71029616 0.09068788 0.88855160 1.0 Nd Nd11 1 0.28970384 0.90931212 0.88855160 1.0 Nd Nd12 1 0.58957633 0.79108873 0.88723718 1.0 Nd Nd13 1 0.08745390 0.70661623 0.61354487 1.0 Nd Nd14 1 0.91254610 0.29338377 0.61354487 1.0 Nd Nd15 1 0.21831799 0.41338849 0.61115404 1.0 Nd Nd16 1 0.78168201 0.58661151 0.61115404 1.0 Nd Nd17 1 0.50000000 0.50000000 0.00000000 1.0 Nd Nd18 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.15898635 0.84615913 0.26003721 1.0 Ir Ir21 1 0.34635749 0.34932319 0.24605107 1.0 Ir Ir22 1 0.65364251 0.65067681 0.24605107 1.0 Ir Ir23 1 0.84101365 0.15384087 0.26003721 1.0 Ir Ir24 1 0.34932319 0.65364251 0.75394893 1.0 Ir Ir25 1 0.15384087 0.15898635 0.73996279 1.0 Ir Ir26 1 0.84615913 0.84101365 0.73996279 1.0 Ir Ir27 1 0.65067681 0.34635749 0.75394893 1.0 Ir Ir28 1 0.00000000 0.50000000 0.37824452 1.0 Ir Ir29 1 0.50000000 0.00000000 0.12261674 1.0 Ir Ir30 1 0.50000000 0.00000000 0.62175548 1.0 Ir Ir31 1 0.00000000 0.50000000 0.87738326 1.0