# generated using pymatgen data_Nd12Pd3AuI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.77793589 _cell_length_b 10.90765983 _cell_length_c 10.90765984 _cell_angle_alpha 109.71088289 _cell_angle_beta 109.23048677 _cell_angle_gamma 109.23047936 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Pd3AuI12 _chemical_formula_sum 'Nd12 Pd3 Au1 I12' _cell_volume 990.05324679 _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 0.46192946 0.47787808 0.23271722 1.0 Nd Nd1 1 0.75000000 0.23100006 0.26899994 1.0 Nd Nd2 1 0.75000000 0.01931145 0.48068855 1.0 Nd Nd3 1 0.23068855 0.46137611 0.48068855 1.0 Nd Nd4 1 0.27078575 0.75483914 0.23271722 1.0 Nd Nd5 1 0.03807054 0.26728278 0.02212192 1.0 Nd Nd6 1 0.01899994 0.03799987 0.26899994 1.0 Nd Nd7 1 0.48405238 0.75483914 0.02212192 1.0 Nd Nd8 1 0.48100006 0.23100006 0.46200013 1.0 Nd Nd9 1 0.01594762 0.47787808 0.74516086 1.0 Nd Nd10 1 0.26931145 0.01931145 0.03862389 1.0 Nd Nd11 1 0.22921425 0.26728278 0.74516086 1.0 Pd Pd12 1 0.25000000 0.24885280 0.25114720 1.0 Pd Pd13 1 0.50114720 0.00229440 0.25114720 1.0 Pd Pd14 1 0.99885280 0.24885280 0.49770560 1.0 Au Au15 1 0.25000000 0.50000000 0.00000000 1.0 I I16 1 0.25000000 0.75744048 0.74255952 1.0 I I17 1 0.51717793 0.50936645 0.75904343 1.0 I I18 1 0.98282207 0.74095657 0.99063355 1.0 I I19 1 0.74186750 0.24967798 0.75904343 1.0 I I20 1 0.99255952 0.98511805 0.74255952 1.0 I I21 1 0.25000000 0.99033476 0.50966524 1.0 I I22 1 0.75966524 0.51933148 0.50966524 1.0 I I23 1 0.50781048 0.24967798 0.99063355 1.0 I I24 1 0.75813250 0.74095657 0.25032202 1.0 I I25 1 0.74033476 0.99033476 0.98066852 1.0 I I26 1 0.99218952 0.50936645 0.25032202 1.0 I I27 1 0.50744048 0.75744048 0.51488195 1.0