# generated using pymatgen data_Lu4Mg(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05108570 _cell_length_b 7.05108570 _cell_length_c 7.64435036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4Mg(SiB4)2 _chemical_formula_sum 'Lu8 Mg2 Si4 B16' _cell_volume 380.06035477 _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 Lu Lu0 1 0.68232231 0.18232231 0.23183524 1.0 Lu Lu1 1 0.31767769 0.81767769 0.76816476 1.0 Lu Lu2 1 0.31767769 0.81767769 0.23183524 1.0 Lu Lu3 1 0.81767769 0.68232231 0.23183524 1.0 Lu Lu4 1 0.81767769 0.68232231 0.76816476 1.0 Lu Lu5 1 0.68232231 0.18232231 0.76816476 1.0 Lu Lu6 1 0.18232231 0.31767769 0.76816476 1.0 Lu Lu7 1 0.18232231 0.31767769 0.23183524 1.0 Mg Mg8 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg9 1 0.50000000 0.50000000 0.50000000 1.0 Si Si10 1 0.11653014 0.61653014 0.50000000 1.0 Si Si11 1 0.88346986 0.38346986 0.50000000 1.0 Si Si12 1 0.38346986 0.11653014 0.50000000 1.0 Si Si13 1 0.61653014 0.88346986 0.50000000 1.0 B B14 1 0.17389938 0.03951690 0.00000000 1.0 B B15 1 0.82610062 0.96048310 0.00000000 1.0 B B16 1 0.96048310 0.17389938 0.00000000 1.0 B B17 1 0.32610062 0.53951690 0.00000000 1.0 B B18 1 0.03951690 0.82610062 0.00000000 1.0 B B19 1 0.67389938 0.46048310 0.00000000 1.0 B B20 1 0.53951690 0.67389938 0.00000000 1.0 B B21 1 0.46048310 0.32610062 0.00000000 1.0 B B22 1 0.08895612 0.58895612 0.00000000 1.0 B B23 1 0.91104388 0.41104388 0.00000000 1.0 B B24 1 0.41104388 0.08895612 0.00000000 1.0 B B25 1 0.58895612 0.91104388 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.16810660 1.0 B B27 1 0.00000000 0.00000000 0.83189340 1.0 B B28 1 0.50000000 0.50000000 0.83189340 1.0 B B29 1 0.50000000 0.50000000 0.16810660 1.0