# generated using pymatgen data_LuPaB6Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73442919 _cell_length_b 9.09317120 _cell_length_c 11.45601542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuPaB6Mo _chemical_formula_sum 'Lu4 Pa4 B24 Mo4' _cell_volume 389.02112653 _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 Lu Lu0 1 0.00000000 0.94509461 0.37314500 1.0 Lu Lu1 1 0.00000000 0.05490539 0.62685500 1.0 Lu Lu2 1 0.00000000 0.44509461 0.12685500 1.0 Lu Lu3 1 0.00000000 0.55490539 0.87314500 1.0 Pa Pa4 1 0.00000000 0.32178461 0.41398477 1.0 Pa Pa5 1 0.00000000 0.67821539 0.58601523 1.0 Pa Pa6 1 0.00000000 0.82178461 0.08601523 1.0 Pa Pa7 1 0.00000000 0.17821539 0.91398477 1.0 B B8 1 0.50000000 0.55379241 0.43304202 1.0 B B9 1 0.50000000 0.44620759 0.56695798 1.0 B B10 1 0.50000000 0.05379241 0.06695798 1.0 B B11 1 0.50000000 0.94620759 0.93304202 1.0 B B12 1 0.50000000 0.75105854 0.41963580 1.0 B B13 1 0.50000000 0.24894146 0.58036420 1.0 B B14 1 0.50000000 0.25105854 0.08036420 1.0 B B15 1 0.50000000 0.74894146 0.91963580 1.0 B B16 1 0.50000000 0.79371688 0.26461009 1.0 B B17 1 0.50000000 0.20628312 0.73538891 1.0 B B18 1 0.50000000 0.29371688 0.23538991 1.0 B B19 1 0.50000000 0.70628312 0.76461109 1.0 B B20 1 0.50000000 0.63098586 0.18445765 1.0 B B21 1 0.50000000 0.36901414 0.81554235 1.0 B B22 1 0.50000000 0.13098586 0.31554235 1.0 B B23 1 0.50000000 0.86901414 0.68445765 1.0 B B24 1 0.50000000 0.98180932 0.21311227 1.0 B B25 1 0.50000000 0.01819068 0.78688773 1.0 B B26 1 0.50000000 0.48180932 0.28688773 1.0 B B27 1 0.50000000 0.51819068 0.71311227 1.0 B B28 1 0.50000000 0.60548515 0.02924936 1.0 B B29 1 0.50000000 0.39451485 0.97075064 1.0 B B30 1 0.50000000 0.10548515 0.47075064 1.0 B B31 1 0.50000000 0.89451485 0.52924936 1.0 Mo Mo32 1 0.00000000 0.63913991 0.32101832 1.0 Mo Mo33 1 0.00000000 0.36086009 0.67898168 1.0 Mo Mo34 1 0.00000000 0.13913991 0.17898168 1.0 Mo Mo35 1 0.00000000 0.86086009 0.82101832 1.0