# generated using pymatgen data_Nd10C4Br15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.14528396 _cell_length_b 10.13747930 _cell_length_c 11.08687750 _cell_angle_alpha 70.26749370 _cell_angle_beta 66.19675128 _cell_angle_gamma 70.70560803 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd10C4Br15 _chemical_formula_sum 'Nd10 C4 Br15' _cell_volume 862.42032699 _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 0.33375140 0.75042894 0.83135126 1.0 Nd Nd1 1 0.66624860 0.24957106 0.16864874 1.0 Nd Nd2 1 0.17011622 0.42985842 0.04549001 1.0 Nd Nd3 1 0.82988378 0.57014158 0.95450999 1.0 Nd Nd4 1 0.07959735 0.17967436 0.88739937 1.0 Nd Nd5 1 0.92040265 0.82032564 0.11260063 1.0 Nd Nd6 1 0.24743492 0.54028334 0.64404092 1.0 Nd Nd7 1 0.75256508 0.45971666 0.35595908 1.0 Nd Nd8 1 0.02855269 0.10403218 0.26406429 1.0 Nd Nd9 1 0.97144731 0.89596782 0.73593571 1.0 C C10 1 0.87944242 0.35972704 0.17197490 1.0 C C11 1 0.12055758 0.64027296 0.82802510 1.0 C C12 1 0.95632694 0.29549951 0.06106769 1.0 C C13 1 0.04367306 0.70450049 0.93893231 1.0 Br Br14 1 0.50000000 0.50000000 0.00000000 1.0 Br Br15 1 0.13109139 0.81453924 0.46820072 1.0 Br Br16 1 0.86890861 0.18546076 0.53179928 1.0 Br Br17 1 0.25737672 0.02666591 0.64562753 1.0 Br Br18 1 0.74262328 0.97333409 0.35437247 1.0 Br Br19 1 0.33709186 0.16704893 0.21968449 1.0 Br Br20 1 0.66290814 0.83295107 0.78031551 1.0 Br Br21 1 0.45022367 0.36929001 0.41352898 1.0 Br Br22 1 0.54977633 0.63070999 0.58647102 1.0 Br Br23 1 0.94756630 0.44298628 0.70247084 1.0 Br Br24 1 0.05243370 0.55701372 0.29752916 1.0 Br Br25 1 0.23375261 0.90669897 0.06152004 1.0 Br Br26 1 0.76624739 0.09330103 0.93847996 1.0 Br Br27 1 0.38885245 0.27050389 0.81583495 1.0 Br Br28 1 0.61114755 0.72949611 0.18416505 1.0