# generated using pymatgen data_Hf6AlHgC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03098347 _cell_length_b 6.03098366 _cell_length_c 9.03907913 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.77732548 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6AlHgC2 _chemical_formula_sum 'Hf6 Al1 Hg1 C2' _cell_volume 175.30716603 _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 0.62719718 0.37280282 0.46319507 1.0 Hf Hf1 1 0.37285166 0.62714834 0.54375707 1.0 Hf Hf2 1 0.62719718 0.37280282 0.03680493 1.0 Hf Hf3 1 0.37285166 0.62714834 0.95624293 1.0 Hf Hf4 1 0.96350436 0.03649564 0.25000000 1.0 Hf Hf5 1 0.04111595 0.95888405 0.75000000 1.0 Al Al6 1 0.74669275 0.25330725 0.75000000 1.0 Hg Hg7 1 0.25189296 0.74810704 0.25000000 1.0 C C8 1 0.99834814 0.00165186 0.50010964 1.0 C C9 1 0.99834814 0.00165186 0.99989036 1.0