# generated using pymatgen data_Nd8SiGeBr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21759313 _cell_length_b 13.66412299 _cell_length_c 14.48707361 _cell_angle_alpha 90.02673039 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd8SiGeBr12 _chemical_formula_sum 'Nd8 Si1 Ge1 Br12' _cell_volume 834.88577736 _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 0.11948229 0.33876740 1.0 Nd Nd1 1 0.50000000 0.88051771 0.66123260 1.0 Nd Nd2 1 0.50000000 0.61852434 0.15999463 1.0 Nd Nd3 1 0.50000000 0.38147566 0.84000537 1.0 Nd Nd4 1 0.00000000 0.12072432 0.57977938 1.0 Nd Nd5 1 0.00000000 0.87927568 0.42022062 1.0 Nd Nd6 1 0.00000000 0.61975131 0.92096713 1.0 Nd Nd7 1 0.00000000 0.38024869 0.07903287 1.0 Si Si8 1 0.50000000 0.50000000 0.00000000 1.0 Ge Ge9 1 0.50000000 0.00000000 0.50000000 1.0 Br Br10 1 0.50000000 0.24503704 0.16368170 1.0 Br Br11 1 0.50000000 0.75496296 0.83631830 1.0 Br Br12 1 0.50000000 0.74502058 0.33660416 1.0 Br Br13 1 0.50000000 0.25497942 0.66339584 1.0 Br Br14 1 0.00000000 0.25447024 0.41045865 1.0 Br Br15 1 0.00000000 0.74552976 0.58954135 1.0 Br Br16 1 0.00000000 0.75449958 0.09011296 1.0 Br Br17 1 0.00000000 0.24550042 0.90988704 1.0 Br Br18 1 0.00000000 0.00131408 0.24370329 1.0 Br Br19 1 0.00000000 0.99868592 0.75629671 1.0 Br Br20 1 0.00000000 0.50156348 0.25633829 1.0 Br Br21 1 0.00000000 0.49843652 0.74366171 1.0