# generated using pymatgen data_Zr3Nb2Si3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79976664 _cell_length_b 7.79976652 _cell_length_c 5.42924970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999628 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Nb2Si3N _chemical_formula_sum 'Zr6 Nb4 Si6 N2' _cell_volume 286.04454885 _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 Zr Zr0 1 0.23622133 0.00000000 0.75000000 1.0 Zr Zr1 1 0.76377867 1.00000000 0.25000000 1.0 Zr Zr2 1 0.00000000 0.23622133 0.75000000 1.0 Zr Zr3 1 1.00000000 0.76377867 0.25000000 1.0 Zr Zr4 1 0.76377867 0.76377867 0.75000000 1.0 Zr Zr5 1 0.23622133 0.23622133 0.25000000 1.0 Nb Nb6 1 0.33333300 0.66666700 0.50000000 1.0 Nb Nb7 1 0.66666700 0.33333300 0.50000000 1.0 Nb Nb8 1 0.66666700 0.33333300 0.00000000 1.0 Nb Nb9 1 0.33333300 0.66666700 0.00000000 1.0 Si Si10 1 0.59077807 0.00000000 0.75000000 1.0 Si Si11 1 0.40922193 0.00000000 0.25000000 1.0 Si Si12 1 0.00000000 0.59077807 0.75000000 1.0 Si Si13 1 0.00000000 0.40922193 0.25000000 1.0 Si Si14 1 0.40922193 0.40922193 0.75000000 1.0 Si Si15 1 0.59077807 0.59077807 0.25000000 1.0 N N16 1 0.00000000 0.00000000 0.50000000 1.0 N N17 1 0.00000000 0.00000000 0.00000000 1.0