# generated using pymatgen data_Hf6AlHgN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95248117 _cell_length_b 5.95248133 _cell_length_c 8.92453920 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.69519387 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6AlHgN2 _chemical_formula_sum 'Hf6 Al1 Hg1 N2' _cell_volume 168.99241701 _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 Hf Hf0 1 0.62595503 0.37404497 0.46397612 1.0 Hf Hf1 1 0.37292691 0.62707309 0.54616506 1.0 Hf Hf2 1 0.62595503 0.37404497 0.03602388 1.0 Hf Hf3 1 0.37292691 0.62707309 0.95383494 1.0 Hf Hf4 1 0.96345746 0.03654254 0.25000000 1.0 Hf Hf5 1 0.04229515 0.95770485 0.75000000 1.0 Al Al6 1 0.74574981 0.25425019 0.75000000 1.0 Hg Hg7 1 0.25252725 0.74747275 0.25000000 1.0 N N8 1 0.99910322 0.00089678 0.49954598 1.0 N N9 1 0.99910322 0.00089678 0.00045402 1.0