# generated using pymatgen data_Tm4Lu(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13387354 _cell_length_b 7.13387354 _cell_length_c 7.89631467 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm4Lu(SiB4)2 _chemical_formula_sum 'Tm8 Lu2 Si4 B16' _cell_volume 401.86044357 _cell_formula_units_Z 2 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 0.68052747 0.18052747 0.22430622 1.0 Tm Tm1 1 0.31947253 0.81947253 0.77569378 1.0 Tm Tm2 1 0.31947253 0.81947253 0.22430622 1.0 Tm Tm3 1 0.81947253 0.68052747 0.22430622 1.0 Tm Tm4 1 0.81947253 0.68052747 0.77569378 1.0 Tm Tm5 1 0.68052747 0.18052747 0.77569378 1.0 Tm Tm6 1 0.18052747 0.31947253 0.77569378 1.0 Tm Tm7 1 0.18052747 0.31947253 0.22430622 1.0 Lu Lu8 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu9 1 0.50000000 0.50000000 0.50000000 1.0 Si Si10 1 0.11650374 0.61650374 0.50000000 1.0 Si Si11 1 0.88349626 0.38349626 0.50000000 1.0 Si Si12 1 0.38349626 0.11650374 0.50000000 1.0 Si Si13 1 0.61650374 0.88349626 0.50000000 1.0 B B14 1 0.17260695 0.03929019 0.00000000 1.0 B B15 1 0.82739305 0.96070981 0.00000000 1.0 B B16 1 0.96070981 0.17260695 0.00000000 1.0 B B17 1 0.32739305 0.53929019 0.00000000 1.0 B B18 1 0.03929019 0.82739305 0.00000000 1.0 B B19 1 0.67260695 0.46070981 0.00000000 1.0 B B20 1 0.53929019 0.67260695 0.00000000 1.0 B B21 1 0.46070981 0.32739305 0.00000000 1.0 B B22 1 0.09015439 0.59015439 0.00000000 1.0 B B23 1 0.90984561 0.40984561 0.00000000 1.0 B B24 1 0.40984561 0.09015439 0.00000000 1.0 B B25 1 0.59015439 0.90984561 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.16667614 1.0 B B27 1 0.00000000 0.00000000 0.83332386 1.0 B B28 1 0.50000000 0.50000000 0.83332386 1.0 B B29 1 0.50000000 0.50000000 0.16667614 1.0