# generated using pymatgen data_Nd8SiHgI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37446251 _cell_length_b 14.52519536 _cell_length_c 15.34491136 _cell_angle_alpha 89.85150092 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8SiHgI12 _chemical_formula_sum 'Nd8 Si1 Hg1 I12' _cell_volume 975.01120384 _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 0.11936683 0.34095570 1.0 Nd Nd1 1 0.50000000 0.88063317 0.65904430 1.0 Nd Nd2 1 0.50000000 0.61335053 0.15197443 1.0 Nd Nd3 1 0.50000000 0.38664947 0.84802557 1.0 Nd Nd4 1 0.00000000 0.12006641 0.58078384 1.0 Nd Nd5 1 0.00000000 0.87993359 0.41921616 1.0 Nd Nd6 1 0.00000000 0.61159056 0.92543432 1.0 Nd Nd7 1 0.00000000 0.38840944 0.07456568 1.0 Si Si8 1 0.50000000 0.50000000 0.00000000 1.0 Hg Hg9 1 0.50000000 0.00000000 0.50000000 1.0 I I10 1 0.50000000 0.24859317 0.16439004 1.0 I I11 1 0.50000000 0.75140683 0.83560996 1.0 I I12 1 0.50000000 0.74243352 0.33477638 1.0 I I13 1 0.50000000 0.25756648 0.66522362 1.0 I I14 1 0.00000000 0.25983772 0.41424910 1.0 I I15 1 0.00000000 0.74016228 0.58575090 1.0 I I16 1 0.00000000 0.75740828 0.08542428 1.0 I I17 1 0.00000000 0.24259172 0.91457572 1.0 I I18 1 0.00000000 0.99955832 0.23894554 1.0 I I19 1 0.00000000 0.00044168 0.76105446 1.0 I I20 1 0.00000000 0.49805016 0.25742923 1.0 I I21 1 0.00000000 0.50194984 0.74257077 1.0