# generated using pymatgen data_Pa2B6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76235899 _cell_length_b 9.35899486 _cell_length_c 11.49047132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa2B6Mo _chemical_formula_sum 'Pa8 B24 Mo4' _cell_volume 404.60130907 _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 Pa Pa0 1 0.00000000 0.33372706 0.40821612 1.0 Pa Pa1 1 0.00000000 0.66627294 0.59178388 1.0 Pa Pa2 1 0.00000000 0.83372706 0.09178388 1.0 Pa Pa3 1 0.00000000 0.16627294 0.90821612 1.0 Pa Pa4 1 0.00000000 0.95255302 0.38672294 1.0 Pa Pa5 1 0.00000000 0.04744698 0.61327706 1.0 Pa Pa6 1 0.00000000 0.45255302 0.11327706 1.0 Pa Pa7 1 0.00000000 0.54744698 0.88672294 1.0 B B8 1 0.50000000 0.55038737 0.43211277 1.0 B B9 1 0.50000000 0.44961263 0.56788723 1.0 B B10 1 0.50000000 0.05038737 0.06788723 1.0 B B11 1 0.50000000 0.94961263 0.93211277 1.0 B B12 1 0.50000000 0.74150927 0.42370896 1.0 B B13 1 0.50000000 0.25849073 0.57629104 1.0 B B14 1 0.50000000 0.24150927 0.07629104 1.0 B B15 1 0.50000000 0.75849073 0.92370896 1.0 B B16 1 0.50000000 0.80047905 0.27410126 1.0 B B17 1 0.50000000 0.19952095 0.72589874 1.0 B B18 1 0.50000000 0.30047905 0.22589874 1.0 B B19 1 0.50000000 0.69952095 0.77410126 1.0 B B20 1 0.50000000 0.64471311 0.18892474 1.0 B B21 1 0.50000000 0.35528689 0.81107526 1.0 B B22 1 0.50000000 0.14471311 0.31107526 1.0 B B23 1 0.50000000 0.85528689 0.68892474 1.0 B B24 1 0.50000000 0.98765525 0.21766992 1.0 B B25 1 0.50000000 0.01234475 0.78233008 1.0 B B26 1 0.50000000 0.48765525 0.28233008 1.0 B B27 1 0.50000000 0.51234475 0.71766992 1.0 B B28 1 0.50000000 0.64386778 0.04007778 1.0 B B29 1 0.50000000 0.35613222 0.95992222 1.0 B B30 1 0.50000000 0.14386778 0.45992222 1.0 B B31 1 0.50000000 0.85613222 0.54007778 1.0 Mo Mo32 1 0.00000000 0.64412743 0.32049567 1.0 Mo Mo33 1 0.00000000 0.35587257 0.67950433 1.0 Mo Mo34 1 0.00000000 0.14412743 0.17950433 1.0 Mo Mo35 1 0.00000000 0.85587257 0.82049567 1.0