# generated using pymatgen data_Zr4S3N2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32955657 _cell_length_b 3.49381762 _cell_length_c 9.54875863 _cell_angle_alpha 89.99999798 _cell_angle_beta 52.01181812 _cell_angle_gamma 73.97884576 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4S3N2 _chemical_formula_sum 'Zr4 S3 N2' _cell_volume 155.88863232 _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 0.23287700 0.88356100 0.65469500 1.0 Zr Zr1 1 0.76712300 0.11643900 0.34530500 1.0 Zr Zr2 1 0.59414000 0.70292900 0.09815300 1.0 Zr Zr3 1 0.40586000 0.29707100 0.90184700 1.0 S S4 1 0.00000000 0.00000000 0.00000000 1.0 S S5 1 0.82347800 0.58826000 0.74101600 1.0 S S6 1 0.17652200 0.41174000 0.25898400 1.0 N N7 1 0.54211500 0.72894300 0.36529300 1.0 N N8 1 0.45788500 0.27105700 0.63470700 1.0