# generated using pymatgen data_Tm(BRu)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.13961712 _cell_length_b 9.13961712 _cell_length_c 9.13961712 _cell_angle_alpha 132.09151072 _cell_angle_beta 132.09151072 _cell_angle_gamma 70.08453400 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm(BRu)4 _chemical_formula_sum 'Tm4 B16 Ru16' _cell_volume 412.14591106 _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 Tm Tm0 1 0.75000000 0.75000000 -0.00000000 1.0 Tm Tm1 1 0.25000000 0.25000000 -0.00000000 1.0 Tm Tm2 1 0.00000000 0.50000000 0.50000000 1.0 Tm Tm3 1 0.50000000 -0.00000000 0.50000000 1.0 B B4 1 0.72143118 0.41373558 0.97263401 1.0 B B5 1 0.22143118 0.24879717 0.30769560 1.0 B B6 1 0.66373558 0.47143118 0.47263401 1.0 B B7 1 0.16373558 0.69110157 0.19230440 1.0 B B8 1 0.02856882 0.83626442 0.52736599 1.0 B B9 1 0.52856882 0.00120283 0.19230440 1.0 B B10 1 0.08626442 0.77856882 0.02736599 1.0 B B11 1 0.58626442 0.55889843 0.30769560 1.0 B B12 1 0.94110157 0.91373558 0.69230440 1.0 B B13 1 0.44110157 0.74879717 0.02736599 1.0 B B14 1 0.49879717 0.97143118 0.80769560 1.0 B B15 1 0.99879717 0.19110157 0.52736599 1.0 B B16 1 0.80889843 0.33626442 0.80769560 1.0 B B17 1 0.30889843 0.50120283 0.47263401 1.0 B B18 1 0.25120283 0.27856882 0.69230440 1.0 B B19 1 0.75120283 0.05889843 0.97263401 1.0 Ru Ru20 1 0.03910360 0.57315755 0.23554560 1.0 Ru Ru21 1 0.53910360 0.30355800 0.46594605 1.0 Ru Ru22 1 0.82315755 0.78910360 0.73554560 1.0 Ru Ru23 1 0.32315755 0.58761195 0.03405395 1.0 Ru Ru24 1 0.71089640 0.67684245 0.26445440 1.0 Ru Ru25 1 0.21089640 0.94644200 0.03405395 1.0 Ru Ru26 1 0.92684245 0.46089640 0.76445440 1.0 Ru Ru27 1 0.42684245 0.66238805 0.46594605 1.0 Ru Ru28 1 0.83761195 0.07315755 0.53405395 1.0 Ru Ru29 1 0.33761195 0.80355800 0.76445440 1.0 Ru Ru30 1 0.55355800 0.28910360 0.96594605 1.0 Ru Ru31 1 0.05355800 0.08761195 0.26445440 1.0 Ru Ru32 1 0.91238805 0.17684245 0.96594605 1.0 Ru Ru33 1 0.41238805 0.44644200 0.73554560 1.0 Ru Ru34 1 0.19644200 0.96089640 0.53405395 1.0 Ru Ru35 1 0.69644200 0.16238805 0.23554560 1.0