# generated using pymatgen data_Hf5Si3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78725235 _cell_length_b 7.78725235 _cell_length_c 5.51860349 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000606 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf5Si3N _chemical_formula_sum 'Hf10 Si6 N2' _cell_volume 289.81996106 _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 Hf Hf0 1 0.23484487 -0.00000000 0.25000000 1.0 Hf Hf1 1 0.76515513 0.00000000 0.75000000 1.0 Hf Hf2 1 -0.00000000 0.23484487 0.25000000 1.0 Hf Hf3 1 0.00000000 0.76515513 0.75000000 1.0 Hf Hf4 1 0.76515513 0.76515513 0.25000000 1.0 Hf Hf5 1 0.23484487 0.23484487 0.75000000 1.0 Hf Hf6 1 0.33333300 0.66666700 -0.00000000 1.0 Hf Hf7 1 0.66666700 0.33333300 -0.00000000 1.0 Hf Hf8 1 0.66666700 0.33333300 0.50000000 1.0 Hf Hf9 1 0.33333300 0.66666700 0.50000000 1.0 Si Si10 1 0.59495484 0.00000000 0.25000000 1.0 Si Si11 1 0.40504516 -0.00000000 0.75000000 1.0 Si Si12 1 0.00000000 0.59495484 0.25000000 1.0 Si Si13 1 -0.00000000 0.40504516 0.75000000 1.0 Si Si14 1 0.40504516 0.40504516 0.25000000 1.0 Si Si15 1 0.59495484 0.59495484 0.75000000 1.0 N N16 1 -0.00000000 -0.00000000 -0.00000000 1.0 N N17 1 -0.00000000 -0.00000000 0.50000000 1.0