# generated using pymatgen data_Ce2Br3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.05535973 _cell_length_b 12.05535973 _cell_length_c 12.05535973 _cell_angle_alpha 104.42908549 _cell_angle_beta 104.42908549 _cell_angle_gamma 120.10835641 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce2Br3N _chemical_formula_sum 'Ce16 Br24 N8' _cell_volume 1313.29833745 _cell_formula_units_Z 8 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 Ce Ce0 1 0.22114000 0.61799100 0.84504500 1.0 Ce Ce1 1 0.39112200 0.47008400 0.75868500 1.0 Ce Ce2 1 0.71139900 0.13243800 0.74131500 1.0 Ce Ce3 1 0.77886000 0.38200900 0.15495500 1.0 Ce Ce4 1 0.02991600 0.78860100 0.42103800 1.0 Ce Ce5 1 0.11799100 0.27294600 0.89685100 1.0 Ce Ce6 1 0.77294600 0.87609500 0.65495500 1.0 Ce Ce7 1 0.62390500 0.27886000 0.39685100 1.0 Ce Ce8 1 0.37609500 0.72114000 0.60314900 1.0 Ce Ce9 1 0.28860100 0.86756200 0.25868500 1.0 Ce Ce10 1 0.97008400 0.21139900 0.57896200 1.0 Ce Ce11 1 0.22705400 0.12390500 0.34504500 1.0 Ce Ce12 1 0.63243800 0.89112200 0.92103800 1.0 Ce Ce13 1 0.36756200 0.10887800 0.07896200 1.0 Ce Ce14 1 0.88200900 0.72705400 0.10314900 1.0 Ce Ce15 1 0.60887800 0.52991600 0.24131500 1.0 Br Br16 1 0.93201300 0.01152400 0.16419800 1.0 Br Br17 1 0.84732700 0.26781600 0.33580200 1.0 Br Br18 1 0.11323900 0.59802000 0.32394700 1.0 Br Br19 1 0.53028700 0.08934100 0.90850200 1.0 Br Br20 1 0.48847600 0.65267300 0.42048900 1.0 Br Br21 1 0.18083900 0.12178500 0.59149800 1.0 Br Br22 1 0.27407300 0.28929200 0.17605300 1.0 Br Br23 1 0.41065900 0.31916100 0.94094600 1.0 Br Br24 1 0.37821500 0.96971300 0.55905400 1.0 Br Br25 1 0.46971300 0.91065900 0.09149800 1.0 Br Br26 1 0.90198000 0.22592700 0.01521900 1.0 Br Br27 1 0.06798700 0.98847600 0.83580200 1.0 Br Br28 1 0.15267300 0.73218400 0.66419800 1.0 Br Br29 1 0.09802000 0.77407300 0.98478100 1.0 Br Br30 1 0.23218400 0.56798700 0.07951100 1.0 Br Br31 1 0.51152400 0.34732700 0.57951100 1.0 Br Br32 1 0.88676100 0.40198000 0.67605300 1.0 Br Br33 1 0.76781600 0.43201300 0.92048900 1.0 Br Br34 1 0.81916100 0.87821500 0.40850200 1.0 Br Br35 1 0.78929200 0.61323900 0.51521900 1.0 Br Br36 1 0.58934100 0.68083900 0.05905400 1.0 Br Br37 1 0.21070800 0.38676100 0.48478100 1.0 Br Br38 1 0.72592700 0.71070800 0.82394700 1.0 Br Br39 1 0.62178500 0.03028700 0.44094600 1.0 N N40 1 0.89498500 0.12200900 0.71543100 1.0 N N41 1 0.37799100 0.09342100 0.27297600 1.0 N N42 1 0.17955400 0.39498500 0.77297600 1.0 N N43 1 0.62200900 0.90657900 0.72702400 1.0 N N44 1 0.40657900 0.67955400 0.78456900 1.0 N N45 1 0.10501500 0.87799100 0.28456900 1.0 N N46 1 0.59342100 0.32044600 0.21543100 1.0 N N47 1 0.82044600 0.60501500 0.22702400 1.0