# generated using pymatgen data_Nb6Cd(Br8O9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.22249862 _cell_length_b 15.22249862 _cell_length_c 15.22249862 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb6Cd(Br8O9)2 _chemical_formula_sum 'Nb12 Cd2 Br32 O36' _cell_volume 2494.26637540 _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 Nb Nb0 1 0.35198700 0.35198700 0.64801300 1.0 Nb Nb1 1 0.64801300 0.64801300 0.35198700 1.0 Nb Nb2 1 0.35198700 0.64801300 0.35198700 1.0 Nb Nb3 1 0.64801300 0.35198700 0.64801300 1.0 Nb Nb4 1 0.64801300 0.35198700 0.35198700 1.0 Nb Nb5 1 0.35198700 0.64801300 0.64801300 1.0 Nb Nb6 1 0.89801300 0.89801300 0.60198700 1.0 Nb Nb7 1 0.60198700 0.60198700 0.89801300 1.0 Nb Nb8 1 0.89801300 0.60198700 0.89801300 1.0 Nb Nb9 1 0.60198700 0.89801300 0.60198700 1.0 Nb Nb10 1 0.60198700 0.89801300 0.89801300 1.0 Nb Nb11 1 0.89801300 0.60198700 0.60198700 1.0 Cd Cd12 1 0.25000000 0.25000000 0.25000000 1.0 Cd Cd13 1 0.00000000 0.00000000 0.00000000 1.0 Br Br14 1 0.26112500 0.49779300 0.49779300 1.0 Br Br15 1 0.49779300 0.26112500 0.74328800 1.0 Br Br16 1 0.49779300 0.74328800 0.26112500 1.0 Br Br17 1 0.74328800 0.49779300 0.49779300 1.0 Br Br18 1 0.49779300 0.49779300 0.26112500 1.0 Br Br19 1 0.26112500 0.74328800 0.49779300 1.0 Br Br20 1 0.74328800 0.26112500 0.49779300 1.0 Br Br21 1 0.49779300 0.49779300 0.74328800 1.0 Br Br22 1 0.49779300 0.26112500 0.49779300 1.0 Br Br23 1 0.74328800 0.49779300 0.26112500 1.0 Br Br24 1 0.26112500 0.49779300 0.74328800 1.0 Br Br25 1 0.49779300 0.74328800 0.49779300 1.0 Br Br26 1 0.98887500 0.75220700 0.75220700 1.0 Br Br27 1 0.75220700 0.98887500 0.50671200 1.0 Br Br28 1 0.75220700 0.50671200 0.98887500 1.0 Br Br29 1 0.50671200 0.75220700 0.75220700 1.0 Br Br30 1 0.75220700 0.75220700 0.98887500 1.0 Br Br31 1 0.98887500 0.50671200 0.75220700 1.0 Br Br32 1 0.50671200 0.98887500 0.75220700 1.0 Br Br33 1 0.75220700 0.75220700 0.50671200 1.0 Br Br34 1 0.75220700 0.98887500 0.75220700 1.0 Br Br35 1 0.50671200 0.75220700 0.98887500 1.0 Br Br36 1 0.98887500 0.75220700 0.50671200 1.0 Br Br37 1 0.75220700 0.50671200 0.75220700 1.0 Br Br38 1 0.03707900 0.32097400 0.32097400 1.0 Br Br39 1 0.32097400 0.03707900 0.32097400 1.0 Br Br40 1 0.32097400 0.32097400 0.03707900 1.0 Br Br41 1 0.32097400 0.32097400 0.32097400 1.0 Br Br42 1 0.21292100 0.92902600 0.92902600 1.0 Br Br43 1 0.92902600 0.21292100 0.92902600 1.0 Br Br44 1 0.92902600 0.92902600 0.21292100 1.0 Br Br45 1 0.92902600 0.92902600 0.92902600 1.0 O O46 1 0.27244200 0.27244200 0.72755800 1.0 O O47 1 0.72755800 0.72755800 0.27244200 1.0 O O48 1 0.27244200 0.72755800 0.27244200 1.0 O O49 1 0.72755800 0.27244200 0.72755800 1.0 O O50 1 0.72755800 0.27244200 0.27244200 1.0 O O51 1 0.27244200 0.72755800 0.72755800 1.0 O O52 1 0.97755800 0.97755800 0.52244200 1.0 O O53 1 0.52244200 0.52244200 0.97755800 1.0 O O54 1 0.97755800 0.52244200 0.97755800 1.0 O O55 1 0.52244200 0.97755800 0.52244200 1.0 O O56 1 0.52244200 0.97755800 0.97755800 1.0 O O57 1 0.97755800 0.52244200 0.52244200 1.0 O O58 1 0.60039400 0.18323800 0.18323800 1.0 O O59 1 0.18323800 0.60039400 0.03313100 1.0 O O60 1 0.18323800 0.03313100 0.60039400 1.0 O O61 1 0.03313100 0.18323800 0.18323800 1.0 O O62 1 0.18323800 0.18323800 0.60039400 1.0 O O63 1 0.60039400 0.03313100 0.18323800 1.0 O O64 1 0.03313100 0.60039400 0.18323800 1.0 O O65 1 0.18323800 0.18323800 0.03313100 1.0 O O66 1 0.18323800 0.60039400 0.18323800 1.0 O O67 1 0.03313100 0.18323800 0.60039400 1.0 O O68 1 0.60039400 0.18323800 0.03313100 1.0 O O69 1 0.18323800 0.03313100 0.18323800 1.0 O O70 1 0.64960600 0.06676200 0.06676200 1.0 O O71 1 0.06676200 0.64960600 0.21686900 1.0 O O72 1 0.06676200 0.21686900 0.64960600 1.0 O O73 1 0.21686900 0.06676200 0.06676200 1.0 O O74 1 0.06676200 0.06676200 0.64960600 1.0 O O75 1 0.64960600 0.21686900 0.06676200 1.0 O O76 1 0.21686900 0.64960600 0.06676200 1.0 O O77 1 0.06676200 0.06676200 0.21686900 1.0 O O78 1 0.06676200 0.64960600 0.06676200 1.0 O O79 1 0.21686900 0.06676200 0.64960600 1.0 O O80 1 0.64960600 0.06676200 0.21686900 1.0 O O81 1 0.06676200 0.21686900 0.06676200 1.0