# generated using pymatgen data_Nd4AuBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19487382 _cell_length_b 13.93062455 _cell_length_c 14.73019259 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4AuBr6 _chemical_formula_sum 'Nd8 Au2 Br12' _cell_volume 860.79139084 _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 0.12014000 0.33821380 1.0 Nd Nd1 1 0.50000000 0.87986000 0.66178620 1.0 Nd Nd2 1 0.50000000 0.62014000 0.16178620 1.0 Nd Nd3 1 0.50000000 0.37986000 0.83821380 1.0 Nd Nd4 1 0.00000000 0.12149632 0.58089862 1.0 Nd Nd5 1 0.00000000 0.87850368 0.41910138 1.0 Nd Nd6 1 0.00000000 0.62149632 0.91910138 1.0 Nd Nd7 1 0.00000000 0.37850368 0.08089862 1.0 Au Au8 1 0.50000000 0.00000000 0.50000000 1.0 Au Au9 1 0.50000000 0.50000000 0.00000000 1.0 Br Br10 1 0.50000000 0.24287596 0.16426296 1.0 Br Br11 1 0.50000000 0.75712404 0.83573704 1.0 Br Br12 1 0.50000000 0.74287596 0.33573704 1.0 Br Br13 1 0.50000000 0.25712404 0.66426296 1.0 Br Br14 1 0.00000000 0.25212857 0.40998310 1.0 Br Br15 1 0.00000000 0.74787143 0.59001690 1.0 Br Br16 1 0.00000000 0.75212857 0.09001690 1.0 Br Br17 1 0.00000000 0.24787143 0.90998310 1.0 Br Br18 1 0.00000000 0.00310820 0.24572202 1.0 Br Br19 1 0.00000000 0.99689180 0.75427798 1.0 Br Br20 1 0.00000000 0.50310820 0.25427798 1.0 Br Br21 1 0.00000000 0.49689180 0.74572202 1.0