# generated using pymatgen data_Ba9Pr6Br34 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.32423300 _cell_length_b 14.32423300 _cell_length_c 14.32423300 _cell_angle_alpha 130.28714153 _cell_angle_beta 130.28714153 _cell_angle_gamma 72.94813739 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba9Pr6Br34 _chemical_formula_sum 'Ba9 Pr6 Br34' _cell_volume 1670.36701873 _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 Ba Ba0 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba1 1 0.15862000 0.70503900 0.17935400 1.0 Ba Ba2 1 0.52568500 0.97926600 0.82064600 1.0 Ba Ba3 1 0.97926600 0.15862000 0.45358100 1.0 Ba Ba4 1 0.70503900 0.52568500 0.54641900 1.0 Ba Ba5 1 0.84138000 0.29496100 0.82064600 1.0 Ba Ba6 1 0.47431500 0.02073400 0.17935400 1.0 Ba Ba7 1 0.02073400 0.84138000 0.54641900 1.0 Ba Ba8 1 0.29496100 0.47431500 0.45358100 1.0 Pr Pr9 1 0.68760100 0.68760100 0.00000000 1.0 Pr Pr10 1 0.31239900 0.31239900 0.00000000 1.0 Pr Pr11 1 0.17821800 0.60802700 0.78624600 1.0 Pr Pr12 1 0.82178200 0.39197300 0.21375400 1.0 Pr Pr13 1 0.39197300 0.17821800 0.57019100 1.0 Pr Pr14 1 0.60802700 0.82178200 0.42980900 1.0 Br Br15 1 0.92183300 0.42183300 0.50000000 1.0 Br Br16 1 0.42183300 0.92183300 0.50000000 1.0 Br Br17 1 0.07816700 0.57816700 0.50000000 1.0 Br Br18 1 0.57816700 0.07816700 0.50000000 1.0 Br Br19 1 0.75000000 0.25000000 0.50000000 1.0 Br Br20 1 0.25000000 0.75000000 0.50000000 1.0 Br Br21 1 0.00400600 0.70800100 0.87359100 1.0 Br Br22 1 0.83441000 0.13041500 0.12640900 1.0 Br Br23 1 0.13041500 0.00400600 0.29600400 1.0 Br Br24 1 0.70800100 0.83441000 0.70399600 1.0 Br Br25 1 0.99599400 0.29199900 0.12640900 1.0 Br Br26 1 0.16559000 0.86958500 0.87359100 1.0 Br Br27 1 0.86958500 0.99599400 0.70399600 1.0 Br Br28 1 0.29199900 0.16559000 0.29600400 1.0 Br Br29 1 0.95475900 0.85101200 0.28491300 1.0 Br Br30 1 0.56609900 0.66984600 0.71508700 1.0 Br Br31 1 0.66984600 0.95475900 0.10374700 1.0 Br Br32 1 0.85101200 0.56609900 0.89625300 1.0 Br Br33 1 0.04524100 0.14898800 0.71508700 1.0 Br Br34 1 0.43390100 0.33015400 0.28491300 1.0 Br Br35 1 0.33015400 0.04524100 0.89625300 1.0 Br Br36 1 0.14898800 0.43390100 0.10374700 1.0 Br Br37 1 0.35722300 0.78175300 0.13897700 1.0 Br Br38 1 0.64277700 0.21824700 0.86102300 1.0 Br Br39 1 0.21824700 0.35722300 0.57547000 1.0 Br Br40 1 0.78175300 0.64277700 0.42453000 1.0 Br Br41 1 0.55044100 0.41118300 0.71683200 1.0 Br Br42 1 0.69435100 0.83360900 0.28316800 1.0 Br Br43 1 0.83360900 0.55044100 0.13925800 1.0 Br Br44 1 0.41118300 0.69435100 0.86074200 1.0 Br Br45 1 0.44955900 0.58881700 0.28316800 1.0 Br Br46 1 0.30564900 0.16639100 0.71683200 1.0 Br Br47 1 0.16639100 0.44955900 0.86074200 1.0 Br Br48 1 0.58881700 0.30564900 0.13925800 1.0