# generated using pymatgen data_BiBr7(N3F2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.32228900 _cell_length_b 12.32228900 _cell_length_c 12.32228900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiBr7(N3F2)2 _chemical_formula_sum 'Bi4 Br28 N24 F16' _cell_volume 1871.00165141 _cell_formula_units_Z 4 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 Bi Bi0 1 0.50000000 0.50000000 0.00000000 1.0 Bi Bi1 1 0.50000000 0.00000000 0.50000000 1.0 Bi Bi2 1 0.00000000 0.50000000 0.50000000 1.0 Bi Bi3 1 0.00000000 0.00000000 0.00000000 1.0 Br Br4 1 0.13448000 0.60143500 0.26280700 1.0 Br Br5 1 0.86552000 0.10143500 0.23719300 1.0 Br Br6 1 0.36552000 0.39856500 0.76280700 1.0 Br Br7 1 0.63448000 0.89856500 0.73719300 1.0 Br Br8 1 0.26280700 0.13448000 0.60143500 1.0 Br Br9 1 0.23719300 0.86552000 0.10143500 1.0 Br Br10 1 0.76280700 0.36552000 0.39856500 1.0 Br Br11 1 0.73719300 0.63448000 0.89856500 1.0 Br Br12 1 0.60143500 0.26280700 0.13448000 1.0 Br Br13 1 0.10143500 0.23719300 0.86552000 1.0 Br Br14 1 0.39856500 0.76280700 0.36552000 1.0 Br Br15 1 0.89856500 0.73719300 0.63448000 1.0 Br Br16 1 0.86552000 0.39856500 0.73719300 1.0 Br Br17 1 0.13448000 0.89856500 0.76280700 1.0 Br Br18 1 0.63448000 0.60143500 0.23719300 1.0 Br Br19 1 0.36552000 0.10143500 0.26280700 1.0 Br Br20 1 0.73719300 0.86552000 0.39856500 1.0 Br Br21 1 0.76280700 0.13448000 0.89856500 1.0 Br Br22 1 0.23719300 0.63448000 0.60143500 1.0 Br Br23 1 0.26280700 0.36552000 0.10143500 1.0 Br Br24 1 0.39856500 0.73719300 0.86552000 1.0 Br Br25 1 0.89856500 0.76280700 0.13448000 1.0 Br Br26 1 0.60143500 0.23719300 0.63448000 1.0 Br Br27 1 0.10143500 0.26280700 0.36552000 1.0 Br Br28 1 0.00000000 0.00000000 0.50000000 1.0 Br Br29 1 0.00000000 0.50000000 0.00000000 1.0 Br Br30 1 0.50000000 0.00000000 0.00000000 1.0 Br Br31 1 0.50000000 0.50000000 0.50000000 1.0 N N32 1 0.97950300 0.68863400 0.52480700 1.0 N N33 1 0.02049700 0.18863400 0.97519300 1.0 N N34 1 0.52049700 0.31136600 0.02480700 1.0 N N35 1 0.47950300 0.81136600 0.47519300 1.0 N N36 1 0.52480700 0.97950300 0.68863400 1.0 N N37 1 0.97519300 0.02049700 0.18863400 1.0 N N38 1 0.02480700 0.52049700 0.31136600 1.0 N N39 1 0.47519300 0.47950300 0.81136600 1.0 N N40 1 0.68863400 0.52480700 0.97950300 1.0 N N41 1 0.18863400 0.97519300 0.02049700 1.0 N N42 1 0.31136600 0.02480700 0.52049700 1.0 N N43 1 0.81136600 0.47519300 0.47950300 1.0 N N44 1 0.02049700 0.31136600 0.47519300 1.0 N N45 1 0.97950300 0.81136600 0.02480700 1.0 N N46 1 0.47950300 0.68863400 0.97519300 1.0 N N47 1 0.52049700 0.18863400 0.52480700 1.0 N N48 1 0.47519300 0.02049700 0.31136600 1.0 N N49 1 0.02480700 0.97950300 0.81136600 1.0 N N50 1 0.97519300 0.47950300 0.68863400 1.0 N N51 1 0.52480700 0.52049700 0.18863400 1.0 N N52 1 0.31136600 0.47519300 0.02049700 1.0 N N53 1 0.81136600 0.02480700 0.97950300 1.0 N N54 1 0.68863400 0.97519300 0.47950300 1.0 N N55 1 0.18863400 0.52480700 0.52049700 1.0 F F56 1 0.28796800 0.71203200 0.21203200 1.0 F F57 1 0.71203200 0.21203200 0.28796800 1.0 F F58 1 0.21203200 0.28796800 0.71203200 1.0 F F59 1 0.78796800 0.78796800 0.78796800 1.0 F F60 1 0.71203200 0.28796800 0.78796800 1.0 F F61 1 0.28796800 0.78796800 0.71203200 1.0 F F62 1 0.78796800 0.71203200 0.28796800 1.0 F F63 1 0.21203200 0.21203200 0.21203200 1.0 F F64 1 0.09014700 0.90985300 0.40985300 1.0 F F65 1 0.90985300 0.40985300 0.09014700 1.0 F F66 1 0.40985300 0.09014700 0.90985300 1.0 F F67 1 0.59014700 0.59014700 0.59014700 1.0 F F68 1 0.90985300 0.09014700 0.59014700 1.0 F F69 1 0.09014700 0.59014700 0.90985300 1.0 F F70 1 0.59014700 0.90985300 0.09014700 1.0 F F71 1 0.40985300 0.40985300 0.40985300 1.0