# generated using pymatgen data_Nd8SiSnI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40331013 _cell_length_b 14.56414384 _cell_length_c 15.34321915 _cell_angle_alpha 89.77536746 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8SiSnI12 _chemical_formula_sum 'Nd8 Si1 Sn1 I12' _cell_volume 983.95986454 _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 0.50000000 0.12127986 0.33932497 1.0 Nd Nd1 1 0.50000000 0.87872014 0.66067503 1.0 Nd Nd2 1 0.50000000 0.61402107 0.15100093 1.0 Nd Nd3 1 0.50000000 0.38597893 0.84899907 1.0 Nd Nd4 1 0.00000000 0.12023206 0.58174001 1.0 Nd Nd5 1 0.00000000 0.87976794 0.41825999 1.0 Nd Nd6 1 0.00000000 0.61031724 0.92487280 1.0 Nd Nd7 1 0.00000000 0.38968276 0.07512720 1.0 Si Si8 1 0.50000000 0.50000000 0.00000000 1.0 Sn Sn9 1 0.50000000 0.00000000 0.50000000 1.0 I I10 1 0.50000000 0.25090764 0.16439460 1.0 I I11 1 0.50000000 0.74909236 0.83560540 1.0 I I12 1 0.50000000 0.74320885 0.33325695 1.0 I I13 1 0.50000000 0.25679115 0.66674305 1.0 I I14 1 0.00000000 0.25904413 0.41460490 1.0 I I15 1 0.00000000 0.74095587 0.58539510 1.0 I I16 1 0.00000000 0.75650945 0.08362403 1.0 I I17 1 0.00000000 0.24349055 0.91637597 1.0 I I18 1 0.00000000 0.00141490 0.23923147 1.0 I I19 1 0.00000000 0.99858510 0.76076853 1.0 I I20 1 0.00000000 0.50045600 0.25717291 1.0 I I21 1 0.00000000 0.49954400 0.74282709 1.0