# generated using pymatgen data_Nd4SiBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20973140 _cell_length_b 13.67459804 _cell_length_c 14.47514213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4SiBr6 _chemical_formula_sum 'Nd8 Si2 Br12' _cell_volume 833.28160078 _cell_formula_units_Z 2 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 0.11886213 0.34004133 1.0 Nd Nd1 1 0.50000000 0.88113787 0.65995867 1.0 Nd Nd2 1 0.50000000 0.61886213 0.15995867 1.0 Nd Nd3 1 0.50000000 0.38113787 0.84004133 1.0 Nd Nd4 1 0.00000000 0.12001526 0.57947232 1.0 Nd Nd5 1 0.00000000 0.87998474 0.42052768 1.0 Nd Nd6 1 0.00000000 0.62001526 0.92052768 1.0 Nd Nd7 1 0.00000000 0.37998474 0.07947232 1.0 Si Si8 1 0.50000000 0.00000000 0.50000000 1.0 Si Si9 1 0.50000000 0.50000000 0.00000000 1.0 Br Br10 1 0.50000000 0.24415210 0.16319384 1.0 Br Br11 1 0.50000000 0.75584790 0.83680616 1.0 Br Br12 1 0.50000000 0.74415210 0.33680616 1.0 Br Br13 1 0.50000000 0.25584790 0.66319384 1.0 Br Br14 1 0.00000000 0.25458730 0.41066713 1.0 Br Br15 1 0.00000000 0.74541270 0.58933287 1.0 Br Br16 1 0.00000000 0.75458730 0.08933287 1.0 Br Br17 1 0.00000000 0.24541270 0.91066713 1.0 Br Br18 1 0.00000000 0.00172071 0.24388909 1.0 Br Br19 1 0.00000000 0.99827929 0.75611091 1.0 Br Br20 1 0.00000000 0.50172071 0.25611091 1.0 Br Br21 1 0.00000000 0.49827929 0.74388909 1.0