# generated using pymatgen data_LuPu4(SiB4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20019214 _cell_length_b 7.20019214 _cell_length_c 8.10235679 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuPu4(SiB4)2 _chemical_formula_sum 'Lu2 Pu8 Si4 B16' _cell_volume 420.04859397 _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 0.00000000 0.00000000 0.50000000 1.0 Lu Lu1 1 0.50000000 0.50000000 0.50000000 1.0 Pu Pu2 1 0.68156943 0.18156943 0.23150448 1.0 Pu Pu3 1 0.31843057 0.81843057 0.76849552 1.0 Pu Pu4 1 0.31843057 0.81843057 0.23150448 1.0 Pu Pu5 1 0.81843057 0.68156943 0.23150448 1.0 Pu Pu6 1 0.81843057 0.68156943 0.76849552 1.0 Pu Pu7 1 0.68156943 0.18156943 0.76849552 1.0 Pu Pu8 1 0.18156943 0.31843057 0.76849552 1.0 Pu Pu9 1 0.18156943 0.31843057 0.23150448 1.0 Si Si10 1 0.11576270 0.61576270 0.50000000 1.0 Si Si11 1 0.88423730 0.38423730 0.50000000 1.0 Si Si12 1 0.38423730 0.11576270 0.50000000 1.0 Si Si13 1 0.61576270 0.88423730 0.50000000 1.0 B B14 1 0.17298099 0.03982357 0.00000000 1.0 B B15 1 0.82701901 0.96017643 0.00000000 1.0 B B16 1 0.96017643 0.17298099 0.00000000 1.0 B B17 1 0.32701901 0.53982357 0.00000000 1.0 B B18 1 0.03982357 0.82701901 0.00000000 1.0 B B19 1 0.67298099 0.46017643 0.00000000 1.0 B B20 1 0.53982357 0.67298099 0.00000000 1.0 B B21 1 0.46017643 0.32701901 0.00000000 1.0 B B22 1 0.09050758 0.59050758 0.00000000 1.0 B B23 1 0.90949242 0.40949242 0.00000000 1.0 B B24 1 0.40949242 0.09050758 0.00000000 1.0 B B25 1 0.59050758 0.90949242 0.00000000 1.0 B B26 1 0.00000000 0.00000000 0.16084719 1.0 B B27 1 0.00000000 0.00000000 0.83915281 1.0 B B28 1 0.50000000 0.50000000 0.83915281 1.0 B B29 1 0.50000000 0.50000000 0.16084719 1.0