# generated using pymatgen data_Lu2Nb3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79352502 _cell_length_b 7.00579608 _cell_length_c 13.26814813 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Nb3Si4 _chemical_formula_sum 'Lu8 Nb12 Si16' _cell_volume 631.48491769 _cell_formula_units_Z 4 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 0.50268456 0.67283668 0.59639078 1.0 Lu Lu1 1 0.00268456 0.82716332 0.90360922 1.0 Lu Lu2 1 0.49731544 0.32716332 0.09639078 1.0 Lu Lu3 1 0.99731544 0.17283668 0.40360922 1.0 Lu Lu4 1 0.49731544 0.32716332 0.40360922 1.0 Lu Lu5 1 0.99731544 0.17283668 0.09639078 1.0 Lu Lu6 1 0.50268456 0.67283668 0.90360922 1.0 Lu Lu7 1 0.00268456 0.82716332 0.59639078 1.0 Nb Nb8 1 0.66242266 0.17646959 0.62546013 1.0 Nb Nb9 1 0.16242266 0.32353041 0.87453987 1.0 Nb Nb10 1 0.33757734 0.82353041 0.12546013 1.0 Nb Nb11 1 0.83757734 0.67646959 0.37453987 1.0 Nb Nb12 1 0.33757734 0.82353041 0.37453987 1.0 Nb Nb13 1 0.83757734 0.67646959 0.12546013 1.0 Nb Nb14 1 0.66242266 0.17646959 0.87453987 1.0 Nb Nb15 1 0.16242266 0.32353041 0.62546013 1.0 Nb Nb16 1 0.83702826 0.49330515 0.75000000 1.0 Nb Nb17 1 0.33702826 0.00669485 0.75000000 1.0 Nb Nb18 1 0.16297174 0.50669485 0.25000000 1.0 Nb Nb19 1 0.66297174 0.99330515 0.25000000 1.0 Si Si20 1 0.66469628 0.96527029 0.46021216 1.0 Si Si21 1 0.16469628 0.53472971 0.03978784 1.0 Si Si22 1 0.33530372 0.03472971 0.96021216 1.0 Si Si23 1 0.83530372 0.46527029 0.53978784 1.0 Si Si24 1 0.33530372 0.03472971 0.53978784 1.0 Si Si25 1 0.83530372 0.46527029 0.96021216 1.0 Si Si26 1 0.66469628 0.96527029 0.03978784 1.0 Si Si27 1 0.16469628 0.53472971 0.46021216 1.0 Si Si28 1 0.45868916 0.38192117 0.75000000 1.0 Si Si29 1 0.95868916 0.11807883 0.75000000 1.0 Si Si30 1 0.54131084 0.61807883 0.25000000 1.0 Si Si31 1 0.04131084 0.88192117 0.25000000 1.0 Si Si32 1 0.70448229 0.87009517 0.75000000 1.0 Si Si33 1 0.20448229 0.62990483 0.75000000 1.0 Si Si34 1 0.29551771 0.12990483 0.25000000 1.0 Si Si35 1 0.79551771 0.37009517 0.25000000 1.0