# generated using pymatgen data_Zr5Sn3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.45336795 _cell_length_b 8.45336795 _cell_length_c 5.77759910 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999695 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5Sn3N _chemical_formula_sum 'Zr10 Sn6 N2' _cell_volume 357.55066851 _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 0.66666700 0.33333300 -0.00000000 1.0 Zr Zr1 1 0.33333300 0.66666700 -0.00000000 1.0 Zr Zr2 1 0.33333300 0.66666700 0.50000000 1.0 Zr Zr3 1 0.66666700 0.33333300 0.50000000 1.0 Zr Zr4 1 0.77914080 0.77914080 0.75000000 1.0 Zr Zr5 1 0.22085920 0.00000000 0.75000000 1.0 Zr Zr6 1 0.00000000 0.22085920 0.75000000 1.0 Zr Zr7 1 0.22085920 0.22085920 0.25000000 1.0 Zr Zr8 1 0.77914080 1.00000000 0.25000000 1.0 Zr Zr9 1 1.00000000 0.77914080 0.25000000 1.0 Sn Sn10 1 0.40541083 0.40541083 0.75000000 1.0 Sn Sn11 1 0.59458917 0.00000000 0.75000000 1.0 Sn Sn12 1 -0.00000000 0.59458917 0.75000000 1.0 Sn Sn13 1 0.59458917 0.59458917 0.25000000 1.0 Sn Sn14 1 0.40541083 0.00000000 0.25000000 1.0 Sn Sn15 1 0.00000000 0.40541083 0.25000000 1.0 N N16 1 0.00000000 0.00000000 -0.00000000 1.0 N N17 1 0.00000000 0.00000000 0.50000000 1.0