# generated using pymatgen data_Nd12Al3SnI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.99081229 _cell_length_b 10.99081201 _cell_length_c 10.99081220 _cell_angle_alpha 109.71580046 _cell_angle_beta 109.71580009 _cell_angle_gamma 109.71580392 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd12Al3SnI12 _chemical_formula_sum 'Nd12 Al3 Sn1 I12' _cell_volume 1012.67835870 _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 0.75000000 0.23679708 0.26320292 1.0 Nd Nd1 1 0.48851908 0.75000000 0.01148092 1.0 Nd Nd2 1 0.02291026 0.26489525 0.00405862 1.0 Nd Nd3 1 0.26489525 0.00405862 0.02291026 1.0 Nd Nd4 1 0.23679708 0.26320292 0.75000000 1.0 Nd Nd5 1 0.26320292 0.75000000 0.23679708 1.0 Nd Nd6 1 0.23510475 0.47708974 0.49594138 1.0 Nd Nd7 1 0.47708974 0.49594138 0.23510475 1.0 Nd Nd8 1 0.75000000 0.01148092 0.48851908 1.0 Nd Nd9 1 0.49594138 0.23510475 0.47708974 1.0 Nd Nd10 1 0.00405862 0.02291026 0.26489525 1.0 Nd Nd11 1 0.01148092 0.48851908 0.75000000 1.0 Al Al12 1 0.99879300 0.25000000 0.50120700 1.0 Al Al13 1 0.25000000 0.50120700 0.99879300 1.0 Al Al14 1 0.50120700 0.99879300 0.25000000 1.0 Sn Sn15 1 0.25000000 0.25000000 0.25000000 1.0 I I16 1 0.75858874 0.74141126 0.25000000 1.0 I I17 1 0.50554722 0.25000000 0.99445278 1.0 I I18 1 0.25000000 0.99445278 0.50554722 1.0 I I19 1 0.51532471 0.50614341 0.75709007 1.0 I I20 1 0.50614341 0.75709007 0.51532471 1.0 I I21 1 0.75709007 0.51532471 0.50614341 1.0 I I22 1 0.74141126 0.25000000 0.75858874 1.0 I I23 1 0.25000000 0.75858874 0.74141126 1.0 I I24 1 0.98467529 0.74290993 0.99385659 1.0 I I25 1 0.99445278 0.50554722 0.25000000 1.0 I I26 1 0.99385659 0.98467529 0.74290993 1.0 I I27 1 0.74290993 0.99385659 0.98467529 1.0