# generated using pymatgen data_W3Br7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.18289000 _cell_length_b 14.18289000 _cell_length_c 14.18289000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W3Br7 _chemical_formula_sum 'W24 Br56' _cell_volume 2852.95028503 _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 W W0 1 0.87632600 0.72365400 0.78519500 1.0 W W1 1 0.78519500 0.87632600 0.72365400 1.0 W W2 1 0.72365400 0.78519500 0.87632600 1.0 W W3 1 0.27634600 0.21480500 0.87632600 1.0 W W4 1 0.78519500 0.12367400 0.27634600 1.0 W W5 1 0.27634600 0.78519500 0.12367400 1.0 W W6 1 0.21480500 0.12367400 0.72365400 1.0 W W7 1 0.21480500 0.87632600 0.27634600 1.0 W W8 1 0.72365400 0.21480500 0.12367400 1.0 W W9 1 0.87632600 0.27634600 0.21480500 1.0 W W10 1 0.12367400 0.72365400 0.21480500 1.0 W W11 1 0.12367400 0.27634600 0.78519500 1.0 W W12 1 0.62367400 0.77634600 0.71480500 1.0 W W13 1 0.71480500 0.62367400 0.77634600 1.0 W W14 1 0.77634600 0.71480500 0.62367400 1.0 W W15 1 0.22365400 0.28519500 0.62367400 1.0 W W16 1 0.71480500 0.37632600 0.22365400 1.0 W W17 1 0.22365400 0.71480500 0.37632600 1.0 W W18 1 0.28519500 0.37632600 0.77634600 1.0 W W19 1 0.28519500 0.62367400 0.22365400 1.0 W W20 1 0.77634600 0.28519500 0.37632600 1.0 W W21 1 0.62367400 0.22365400 0.28519500 1.0 W W22 1 0.37632600 0.77634600 0.28519500 1.0 W W23 1 0.37632600 0.22365400 0.71480500 1.0 Br Br24 1 0.88310000 0.88310000 0.88310000 1.0 Br Br25 1 0.11690000 0.11690000 0.88310000 1.0 Br Br26 1 0.88310000 0.11690000 0.11690000 1.0 Br Br27 1 0.11690000 0.88310000 0.11690000 1.0 Br Br28 1 0.61690000 0.61690000 0.61690000 1.0 Br Br29 1 0.38310000 0.38310000 0.61690000 1.0 Br Br30 1 0.61690000 0.38310000 0.38310000 1.0 Br Br31 1 0.38310000 0.61690000 0.38310000 1.0 Br Br32 1 0.93533800 0.81291700 0.63145900 1.0 Br Br33 1 0.63145900 0.93533800 0.81291700 1.0 Br Br34 1 0.81291700 0.63145900 0.93533800 1.0 Br Br35 1 0.18708300 0.36854100 0.93533800 1.0 Br Br36 1 0.63145900 0.06466200 0.18708300 1.0 Br Br37 1 0.18708300 0.63145900 0.06466200 1.0 Br Br38 1 0.36854100 0.06466200 0.81291700 1.0 Br Br39 1 0.36854100 0.93533800 0.18708300 1.0 Br Br40 1 0.81291700 0.36854100 0.06466200 1.0 Br Br41 1 0.93533800 0.18708300 0.36854100 1.0 Br Br42 1 0.06466200 0.81291700 0.36854100 1.0 Br Br43 1 0.06466200 0.18708300 0.63145900 1.0 Br Br44 1 0.56466200 0.68708300 0.86854100 1.0 Br Br45 1 0.86854100 0.56466200 0.68708300 1.0 Br Br46 1 0.68708300 0.86854100 0.56466200 1.0 Br Br47 1 0.31291700 0.13145900 0.56466200 1.0 Br Br48 1 0.86854100 0.43533800 0.31291700 1.0 Br Br49 1 0.31291700 0.86854100 0.43533800 1.0 Br Br50 1 0.13145900 0.43533800 0.68708300 1.0 Br Br51 1 0.13145900 0.56466200 0.31291700 1.0 Br Br52 1 0.68708300 0.13145900 0.43533800 1.0 Br Br53 1 0.56466200 0.31291700 0.13145900 1.0 Br Br54 1 0.43533800 0.68708300 0.13145900 1.0 Br Br55 1 0.43533800 0.31291700 0.86854100 1.0 Br Br56 1 0.04616700 0.68874700 0.83163100 1.0 Br Br57 1 0.83163100 0.04616700 0.68874700 1.0 Br Br58 1 0.68874700 0.83163100 0.04616700 1.0 Br Br59 1 0.31125300 0.16836900 0.04616700 1.0 Br Br60 1 0.83163100 0.95383300 0.31125300 1.0 Br Br61 1 0.31125300 0.83163100 0.95383300 1.0 Br Br62 1 0.16836900 0.95383300 0.68874700 1.0 Br Br63 1 0.16836900 0.04616700 0.31125300 1.0 Br Br64 1 0.68874700 0.16836900 0.95383300 1.0 Br Br65 1 0.04616700 0.31125300 0.16836900 1.0 Br Br66 1 0.95383300 0.68874700 0.16836900 1.0 Br Br67 1 0.95383300 0.31125300 0.83163100 1.0 Br Br68 1 0.45383300 0.81125300 0.66836900 1.0 Br Br69 1 0.66836900 0.45383300 0.81125300 1.0 Br Br70 1 0.81125300 0.66836900 0.45383300 1.0 Br Br71 1 0.18874700 0.33163100 0.45383300 1.0 Br Br72 1 0.66836900 0.54616700 0.18874700 1.0 Br Br73 1 0.18874700 0.66836900 0.54616700 1.0 Br Br74 1 0.33163100 0.54616700 0.81125300 1.0 Br Br75 1 0.33163100 0.45383300 0.18874700 1.0 Br Br76 1 0.81125300 0.33163100 0.54616700 1.0 Br Br77 1 0.45383300 0.18874700 0.33163100 1.0 Br Br78 1 0.54616700 0.81125300 0.33163100 1.0 Br Br79 1 0.54616700 0.18874700 0.66836900 1.0