# generated using pymatgen data_Mo2P3Pb2BrO15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.88321702 _cell_length_b 17.85991727 _cell_length_c 9.29947768 _cell_angle_alpha 75.05819642 _cell_angle_beta 74.78097577 _cell_angle_gamma 30.16082781 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo2P3Pb2BrO15 _chemical_formula_sum 'Mo8 P12 Pb8 Br4 O60' _cell_volume 1437.04968104 _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 Mo Mo0 1 0.84464400 0.36153800 0.14740300 1.0 Mo Mo1 1 0.38979500 0.90116700 0.10641100 1.0 Mo Mo2 1 0.14358900 0.64737300 0.86020500 1.0 Mo Mo3 1 0.10259700 0.60358400 0.40535600 1.0 Mo Mo4 1 0.88846200 0.40535600 0.60358400 1.0 Mo Mo5 1 0.64641600 0.14740300 0.36153800 1.0 Mo Mo6 1 0.60262700 0.10641100 0.90116700 1.0 Mo Mo7 1 0.34883300 0.86020500 0.64737300 1.0 P P8 1 0.87302000 0.87684700 0.63271900 1.0 P P9 1 0.87891100 0.88073200 0.12817900 1.0 P P10 1 0.92131700 0.57868300 0.57868300 1.0 P P11 1 0.42466100 0.07533900 0.07533900 1.0 P P12 1 0.37315300 0.37698000 0.63258700 1.0 P P13 1 0.11217800 0.12817900 0.88073200 1.0 P P14 1 0.12182100 0.13782200 0.37108900 1.0 P P15 1 0.17466100 0.82533900 0.82533900 1.0 P P16 1 0.67131700 0.32868300 0.32868300 1.0 P P17 1 0.36926800 0.37108900 0.13782200 1.0 P P18 1 0.61741300 0.63271900 0.87684700 1.0 P P19 1 0.61728100 0.63258700 0.37698000 1.0 Pb Pb20 1 0.17923900 0.32076100 0.32076100 1.0 Pb Pb21 1 0.92923900 0.07076100 0.07076100 1.0 Pb Pb22 1 0.67591100 0.82408900 0.82408900 1.0 Pb Pb23 1 0.94510500 0.11640800 0.55762900 1.0 Pb Pb24 1 0.69237100 0.86914100 0.30489500 1.0 Pb Pb25 1 0.13359200 0.30489500 0.86914100 1.0 Pb Pb26 1 0.38085900 0.55762900 0.11640800 1.0 Pb Pb27 1 0.42591100 0.57408900 0.57408900 1.0 Br Br28 1 0.12677800 0.86790300 0.37175800 1.0 Br Br29 1 0.38209700 0.12322200 0.61643900 1.0 Br Br30 1 0.87824200 0.61643900 0.12322200 1.0 Br Br31 1 0.63356100 0.37175800 0.86790300 1.0 O O32 1 0.08770300 0.60153900 0.91275200 1.0 O O33 1 0.96297000 0.46257900 0.54829000 1.0 O O34 1 0.56047200 0.74940400 0.94413300 1.0 O O35 1 0.25563100 0.43989800 0.56097100 1.0 O O36 1 0.44184600 0.05330600 0.24285400 1.0 O O37 1 0.23679100 0.06033300 0.94254200 1.0 O O38 1 0.26199300 0.24285400 0.05330600 1.0 O O39 1 0.22156500 0.70448000 0.79877800 1.0 O O40 1 0.48088700 0.31759900 0.20972500 1.0 O O41 1 0.19669400 0.80815400 0.98800700 1.0 O O42 1 0.02616100 0.54829000 0.46257900 1.0 O O43 1 0.44605300 0.24113500 0.07575600 1.0 O O44 1 0.99544100 0.18524800 0.00750000 1.0 O O45 1 0.69200500 0.30695900 0.49412600 1.0 O O46 1 0.75587400 0.74309000 0.55799500 1.0 O O47 1 0.50691000 0.49412600 0.30695900 1.0 O O48 1 0.68902900 0.50650000 0.99436900 1.0 O O49 1 0.86110500 0.05815100 0.63774700 1.0 O O50 1 0.33724800 0.85199400 0.16229700 1.0 O O51 1 0.54409400 0.76011800 0.26136800 1.0 O O52 1 0.30745800 0.48966600 0.01320900 1.0 O O53 1 0.17424400 0.01294300 0.80394700 1.0 O O54 1 0.81010200 0.99436900 0.50650000 1.0 O O55 1 0.43442000 0.26136800 0.76011800 1.0 O O56 1 0.74350000 0.56097100 0.43989800 1.0 O O57 1 0.78742100 0.28703000 0.22383900 1.0 O O58 1 0.54552000 0.02843500 0.97482200 1.0 O O59 1 0.50107000 0.30353700 0.51394000 1.0 O O60 1 0.93240100 0.76911300 0.25821200 1.0 O O61 1 0.45122200 0.97482200 0.02843500 1.0 O O62 1 0.94646300 0.74893000 0.56854700 1.0 O O63 1 0.60854500 0.08282100 0.39690400 1.0 O O64 1 0.00714600 0.98800700 0.80815400 1.0 O O65 1 0.98863200 0.81558000 0.70590600 1.0 O O66 1 0.99178800 0.20972500 0.31759900 1.0 O O67 1 0.18966700 0.01320900 0.48966600 1.0 O O68 1 0.68145300 0.51394000 0.30353700 1.0 O O69 1 0.74599000 0.94413400 0.74940400 1.0 O O70 1 0.39800600 0.91275200 0.60153900 1.0 O O71 1 0.16717900 0.64145500 0.33827000 1.0 O O72 1 0.48988200 0.70590600 0.81558000 1.0 O O73 1 0.61225300 0.80700300 0.38889500 1.0 O O74 1 0.64846100 0.16229700 0.85199400 1.0 O O75 1 0.85309600 0.33827000 0.64145500 1.0 O O76 1 0.27517800 0.79877800 0.70448000 1.0 O O77 1 0.30586600 0.50401000 0.68952800 1.0 O O78 1 0.70171000 0.22383900 0.28703000 1.0 O O79 1 0.94304100 0.55799500 0.74309000 1.0 O O80 1 0.06475200 0.25455900 0.43818900 1.0 O O81 1 0.91173000 0.39690400 0.08282100 1.0 O O82 1 0.50059600 0.68952800 0.50401000 1.0 O O83 1 0.73606000 0.56854700 0.74893000 1.0 O O84 1 0.19184900 0.38889500 0.80700300 1.0 O O85 1 0.23705700 0.07575600 0.24113500 1.0 O O86 1 0.00886500 0.80394700 0.01294300 1.0 O O87 1 0.81181100 0.00750000 0.18524800 1.0 O O88 1 0.76033400 0.94254200 0.06033300 1.0 O O89 1 0.24250000 0.43818900 0.25455900 1.0 O O90 1 0.04027500 0.25821200 0.76911300 1.0 O O91 1 0.44299700 0.63774700 0.05815100 1.0