# generated using pymatgen data_Lu5(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09619489 _cell_length_b 7.09619489 _cell_length_c 7.83924675 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5(SiB4)2 _chemical_formula_sum 'Lu10 Si4 B16' _cell_volume 394.75296744 _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 0.68056990 0.18056990 0.22354459 1.0 Lu Lu1 1 0.31943010 0.81943010 0.77645541 1.0 Lu Lu2 1 0.31943010 0.81943010 0.22354459 1.0 Lu Lu3 1 0.81943010 0.68056990 0.22354459 1.0 Lu Lu4 1 0.81943010 0.68056990 0.77645541 1.0 Lu Lu5 1 0.68056990 0.18056990 0.77645541 1.0 Lu Lu6 1 0.18056990 0.31943010 0.77645541 1.0 Lu Lu7 1 0.18056990 0.31943010 0.22354459 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 0.11692900 0.61692900 0.50000000 1.0 Si Si11 1 0.88307100 0.38307100 0.50000000 1.0 Si Si12 1 0.38307100 0.11692900 0.50000000 1.0 Si Si13 1 0.61692900 0.88307100 0.50000000 1.0 B B14 1 0.17283281 0.03936485 0.00000000 1.0 B B15 1 0.82716719 0.96063515 0.00000000 1.0 B B16 1 0.96063515 0.17283281 0.00000000 1.0 B B17 1 0.32716719 0.53936485 0.00000000 1.0 B B18 1 0.03936485 0.82716719 0.00000000 1.0 B B19 1 0.67283281 0.46063515 0.00000000 1.0 B B20 1 0.53936485 0.67283281 0.00000000 1.0 B B21 1 0.46063515 0.32716719 0.00000000 1.0 B B22 1 0.08983611 0.58983611 0.00000000 1.0 B B23 1 0.91016389 0.41016389 0.00000000 1.0 B B24 1 0.41016389 0.08983611 0.00000000 1.0 B B25 1 0.58983611 0.91016389 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.16821927 1.0 B B27 1 0.00000000 0.00000000 0.83178073 1.0 B B28 1 0.50000000 0.50000000 0.83178073 1.0 B B29 1 0.50000000 0.50000000 0.16821927 1.0