# generated using pymatgen data_Zn3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36980856 _cell_length_b 5.83942677 _cell_length_c 11.88932026 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn3N2 _chemical_formula_sum 'Zn12 N8' _cell_volume 233.95507549 _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 Zn Zn0 1 0.75000000 0.08339453 0.07900494 1.0 Zn Zn1 1 0.75000000 0.41660547 0.57900494 1.0 Zn Zn2 1 0.75000000 0.75120575 0.24969405 1.0 Zn Zn3 1 0.75000000 0.08290289 0.42095330 1.0 Zn Zn4 1 0.75000000 0.74879425 0.74969405 1.0 Zn Zn5 1 0.75000000 0.41709711 0.92095330 1.0 Zn Zn6 1 0.25000000 0.58290289 0.07904670 1.0 Zn Zn7 1 0.25000000 0.91660547 0.92099506 1.0 Zn Zn8 1 0.25000000 0.25120575 0.25030595 1.0 Zn Zn9 1 0.25000000 0.24879425 0.75030595 1.0 Zn Zn10 1 0.25000000 0.91709711 0.57904670 1.0 Zn Zn11 1 0.25000000 0.58339453 0.42099506 1.0 N N12 1 0.75000000 0.08437409 0.24991694 1.0 N N13 1 0.75000000 0.74982504 0.00010382 1.0 N N14 1 0.75000000 0.41562591 0.74991694 1.0 N N15 1 0.75000000 0.75017496 0.50010382 1.0 N N16 1 0.25000000 0.58437409 0.25008306 1.0 N N17 1 0.25000000 0.91562591 0.75008306 1.0 N N18 1 0.25000000 0.24982504 0.49989618 1.0 N N19 1 0.25000000 0.25017496 -0.00010382 1.0