# generated using pymatgen data_Hf3Zn3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42919852 _cell_length_b 8.42919972 _cell_length_c 8.42919947 _cell_angle_alpha 60.00126647 _cell_angle_beta 60.00126051 _cell_angle_gamma 60.00125965 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zn3N _chemical_formula_sum 'Hf12 Zn12 N4' _cell_volume 423.50289926 _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 Hf Hf0 1 0.81374075 0.18625471 0.18625230 1.0 Hf Hf1 1 0.18624632 0.81374817 0.18625362 1.0 Hf Hf2 1 0.81374184 0.81374850 0.18625074 1.0 Hf Hf3 1 0.18624411 0.81374926 0.81374700 1.0 Hf Hf4 1 0.81374206 0.18625232 0.81374739 1.0 Hf Hf5 1 0.18624592 0.18625529 0.81374576 1.0 Hf Hf6 1 0.43624728 0.06374845 0.06374551 1.0 Hf Hf7 1 0.06374032 0.43625370 0.06374771 1.0 Hf Hf8 1 0.43624791 0.43625490 0.06374607 1.0 Hf Hf9 1 0.06374030 0.43625459 0.43625281 1.0 Hf Hf10 1 0.43624811 0.06374786 0.43625401 1.0 Hf Hf11 1 0.06373926 0.06374951 0.43625276 1.0 Zn Zn12 1 0.41827097 0.41826838 0.74518740 1.0 Zn Zn13 1 0.41827846 0.41827539 0.41827614 1.0 Zn Zn14 1 0.74520127 0.41826446 0.41826469 1.0 Zn Zn15 1 0.41827168 0.74518513 0.41826941 1.0 Zn Zn16 1 0.83173193 0.83173018 0.50481651 1.0 Zn Zn17 1 0.83172997 0.83172741 0.83172975 1.0 Zn Zn18 1 0.50482719 0.83172711 0.83172613 1.0 Zn Zn19 1 0.83173353 0.50481234 0.83173034 1.0 Zn Zn20 1 0.62503594 0.62500219 0.12497711 1.0 Zn Zn21 1 0.62502059 0.62498654 0.62499529 1.0 Zn Zn22 1 0.12495728 0.62501775 0.62502602 1.0 Zn Zn23 1 0.62503058 0.12498274 0.62500681 1.0 N N24 1 0.12499548 0.12500064 0.62500139 1.0 N N25 1 0.12499598 0.12500113 0.12500013 1.0 N N26 1 0.62499824 0.12500047 0.12499935 1.0 N N27 1 0.12499573 0.62500189 0.12499985 1.0