# generated using pymatgen data_Lu5Ni19B6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91599787 _cell_length_b 4.91599787 _cell_length_c 16.97113600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999822 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu5Ni19B6 _chemical_formula_sum 'Lu5 Ni19 B6' _cell_volume 355.19343068 _cell_formula_units_Z 1 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 0.70197100 1.0 Lu Lu1 1 0.00000000 0.00000000 0.29802900 1.0 Lu Lu2 1 0.00000000 0.00000000 0.90372200 1.0 Lu Lu3 1 0.00000000 0.00000000 0.09627800 1.0 Lu Lu4 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni5 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni6 1 0.00000000 0.50000000 0.00000000 1.0 Ni Ni7 1 0.33333300 0.66666700 0.29541500 1.0 Ni Ni8 1 0.66666700 0.33333300 0.29541500 1.0 Ni Ni9 1 0.66666700 0.33333300 0.70458500 1.0 Ni Ni10 1 0.33333300 0.66666700 0.70458500 1.0 Ni Ni11 1 0.50000000 0.00000000 0.17676000 1.0 Ni Ni12 1 0.50000000 0.50000000 0.17676000 1.0 Ni Ni13 1 0.00000000 0.50000000 0.17676000 1.0 Ni Ni14 1 0.50000000 0.00000000 0.82324000 1.0 Ni Ni15 1 0.50000000 0.50000000 0.82324000 1.0 Ni Ni16 1 0.00000000 0.50000000 0.82324000 1.0 Ni Ni17 1 0.50000000 0.00000000 0.41470700 1.0 Ni Ni18 1 0.50000000 0.50000000 0.41470700 1.0 Ni Ni19 1 0.00000000 0.50000000 0.41470700 1.0 Ni Ni20 1 0.50000000 0.00000000 0.58529300 1.0 Ni Ni21 1 0.50000000 0.50000000 0.58529300 1.0 Ni Ni22 1 0.00000000 0.50000000 0.58529300 1.0 Ni Ni23 1 0.50000000 0.00000000 0.00000000 1.0 B B24 1 0.33333300 0.66666700 0.90933100 1.0 B B25 1 0.66666700 0.33333300 0.90933100 1.0 B B26 1 0.66666700 0.33333300 0.09066900 1.0 B B27 1 0.33333300 0.66666700 0.09066900 1.0 B B28 1 0.66666700 0.33333300 0.50000000 1.0 B B29 1 0.33333300 0.66666700 0.50000000 1.0