# generated using pymatgen data_Hf6Zn6N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40806343 _cell_length_b 8.40806263 _cell_length_c 8.40794569 _cell_angle_alpha 60.00046011 _cell_angle_beta 60.00046323 _cell_angle_gamma 60.00100212 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Zn6N _chemical_formula_sum 'Hf12 Zn12 N2' _cell_volume 420.31330387 _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 0.19004366 0.80995706 0.19004379 1.0 Hf Hf1 1 0.44004425 0.05995637 0.44004385 1.0 Hf Hf2 1 0.44004425 0.05995637 0.05995553 1.0 Hf Hf3 1 0.44004386 0.44004180 0.05995717 1.0 Hf Hf4 1 0.19004366 0.80995706 0.80995550 1.0 Hf Hf5 1 0.05995634 0.44004294 0.05995621 1.0 Hf Hf6 1 0.80995614 0.80995820 0.19004283 1.0 Hf Hf7 1 0.05995634 0.44004294 0.44004450 1.0 Hf Hf8 1 0.19004540 0.19004478 0.80995491 1.0 Hf Hf9 1 0.80995575 0.19004363 0.19004447 1.0 Hf Hf10 1 0.80995575 0.19004363 0.80995615 1.0 Hf Hf11 1 0.05995460 0.05995522 0.44004509 1.0 Zn Zn12 1 0.83174001 0.50477667 0.83174216 1.0 Zn Zn13 1 0.41826230 0.41826009 0.74521728 1.0 Zn Zn14 1 0.74522235 0.41825886 0.41825889 1.0 Zn Zn15 1 0.41826230 0.41826009 0.41825933 1.0 Zn Zn16 1 0.83173770 0.83173991 0.50478272 1.0 Zn Zn17 1 0.41825999 0.74522333 0.41825784 1.0 Zn Zn18 1 0.83173770 0.83173991 0.83174067 1.0 Zn Zn19 1 0.50477765 0.83174114 0.83174111 1.0 Zn Zn20 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn21 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn22 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn23 1 0.62500000 0.62500000 0.62500000 1.0 N N24 1 0.00000059 0.00000331 0.99999805 1.0 N N25 1 0.24999941 0.24999669 0.25000195 1.0