# generated using pymatgen data_Nd4GeBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22137021 _cell_length_b 13.68934661 _cell_length_c 14.49198715 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4GeBr6 _chemical_formula_sum 'Nd8 Ge2 Br12' _cell_volume 837.46005589 _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 0.11945665 0.33909523 1.0 Nd Nd1 1 0.50000000 0.88054335 0.66090477 1.0 Nd Nd2 1 0.50000000 0.61945665 0.16090477 1.0 Nd Nd3 1 0.50000000 0.38054335 0.83909523 1.0 Nd Nd4 1 0.00000000 0.12053082 0.57968240 1.0 Nd Nd5 1 0.00000000 0.87946918 0.42031760 1.0 Nd Nd6 1 0.00000000 0.62053082 0.92031760 1.0 Nd Nd7 1 0.00000000 0.37946918 0.07968240 1.0 Ge Ge8 1 0.50000000 0.00000000 0.50000000 1.0 Ge Ge9 1 0.50000000 0.50000000 0.00000000 1.0 Br Br10 1 0.50000000 0.24428679 0.16307594 1.0 Br Br11 1 0.50000000 0.75571321 0.83692406 1.0 Br Br12 1 0.50000000 0.74428679 0.33692406 1.0 Br Br13 1 0.50000000 0.25571321 0.66307594 1.0 Br Br14 1 0.00000000 0.25428814 0.41037172 1.0 Br Br15 1 0.00000000 0.74571186 0.58962828 1.0 Br Br16 1 0.00000000 0.75428814 0.08962828 1.0 Br Br17 1 0.00000000 0.24571186 0.91037172 1.0 Br Br18 1 0.00000000 0.00188253 0.24408013 1.0 Br Br19 1 0.00000000 0.99811747 0.75591987 1.0 Br Br20 1 0.00000000 0.50188253 0.25591987 1.0 Br Br21 1 0.00000000 0.49811747 0.74408013 1.0