# generated using pymatgen data_TbB7Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09952876 _cell_length_b 11.01135404 _cell_length_c 12.88409040 _cell_angle_alpha 89.99976946 _cell_angle_beta 90.00000512 _cell_angle_gamma 90.00000107 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbB7Mo3 _chemical_formula_sum 'Tb4 B28 Mo12' _cell_volume 439.73411530 _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 Tb Tb0 1 0.75000005 0.55077722 0.30809917 1.0 Tb Tb1 1 0.25000000 0.44920691 0.69190575 1.0 Tb Tb2 1 0.25000000 0.94921761 0.80807441 1.0 Tb Tb3 1 0.75000002 0.05079778 0.19192032 1.0 B B4 1 0.75000001 0.75172146 0.17324334 1.0 B B5 1 0.25000000 0.24827845 0.82675361 1.0 B B6 1 0.25000001 0.74827222 0.67323973 1.0 B B7 1 0.74999996 0.25173046 0.32676352 1.0 B B8 1 0.74999996 0.93198565 0.38455929 1.0 B B9 1 0.24999998 0.06802076 0.61544907 1.0 B B10 1 0.24999995 0.56801157 0.88454278 1.0 B B11 1 0.74999998 0.43198164 0.11544928 1.0 B B12 1 0.74999997 0.98939096 0.63632511 1.0 B B13 1 0.25000002 0.01061612 0.36368123 1.0 B B14 1 0.25000005 0.51060796 0.13633016 1.0 B B15 1 0.74999996 0.48938552 0.86366359 1.0 B B16 1 0.75000000 0.76967264 0.41841977 1.0 B B17 1 0.24999995 0.23032774 0.58159000 1.0 B B18 1 0.24999992 0.73032537 0.91840373 1.0 B B19 1 0.75000005 0.26967621 0.08158794 1.0 B B20 1 0.75000002 0.96239533 0.98224891 1.0 B B21 1 0.25000001 0.03761151 0.01774112 1.0 B B22 1 0.25000008 0.53760258 0.48226056 1.0 B B23 1 0.74999994 0.46238874 0.51774737 1.0 B B24 1 0.75000002 0.81346110 0.93370678 1.0 B B25 1 0.25000003 0.18654003 0.06628415 1.0 B B26 1 0.25000004 0.68653770 0.43372254 1.0 B B27 1 0.74999997 0.31345938 0.56628555 1.0 B B28 1 0.74999996 0.83340884 0.66637927 1.0 B B29 1 0.25000003 0.16659538 0.33362531 1.0 B B30 1 0.25000002 0.66658860 0.16638379 1.0 B B31 1 0.75000003 0.33340909 0.83361237 1.0 Mo Mo32 1 0.74999990 0.11795807 0.47324067 1.0 Mo Mo33 1 0.25000001 0.88205417 0.52677122 1.0 Mo Mo34 1 0.25000005 0.38203756 0.97322827 1.0 Mo Mo35 1 0.75000008 0.61794962 0.02676116 1.0 Mo Mo36 1 0.74999984 0.66010013 0.56376677 1.0 Mo Mo37 1 0.25000009 0.33989288 0.43624114 1.0 Mo Mo38 1 0.25000013 0.83990568 0.06376157 1.0 Mo Mo39 1 0.74999997 0.16009848 0.93623014 1.0 Mo Mo40 1 0.75000002 0.68438799 0.79843869 1.0 Mo Mo41 1 0.24999990 0.31560614 0.20155629 1.0 Mo Mo42 1 0.25000005 0.81561231 0.29846227 1.0 Mo Mo43 1 0.74999998 0.18439145 0.70154228 1.0