# generated using pymatgen data_Zr4Nb4SiP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58116407 _cell_length_b 6.95066083 _cell_length_c 8.39516474 _cell_angle_alpha 89.79492998 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Nb4SiP3 _chemical_formula_sum 'Zr4 Nb4 Si1 P3' _cell_volume 208.96654194 _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 Zr Zr0 1 0.25000000 0.53415125 0.83428923 1.0 Zr Zr1 1 0.75000000 0.96354066 0.33159081 1.0 Zr Zr2 1 0.25000000 0.03886707 0.66817526 1.0 Zr Zr3 1 0.75000000 0.46572557 0.16951205 1.0 Nb Nb4 1 0.25000000 0.13974542 0.06055023 1.0 Nb Nb5 1 0.75000000 0.86449185 0.94234727 1.0 Nb Nb6 1 0.25000000 0.63455186 0.43655859 1.0 Nb Nb7 1 0.75000000 0.36035166 0.55928396 1.0 Si Si8 1 0.75000000 0.73990340 0.64007041 1.0 P P9 1 0.25000000 0.76157315 0.14087488 1.0 P P10 1 0.75000000 0.23936443 0.85796786 1.0 P P11 1 0.25000000 0.25773267 0.35877844 1.0