# generated using pymatgen data_Hf4HgC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29560350 _cell_length_b 3.29560319 _cell_length_c 25.18684180 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000308 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4HgC3 _chemical_formula_sum 'Hf8 Hg2 C6' _cell_volume 236.90498715 _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 0.00000000 0.00000000 0.34631040 1.0 Hf Hf1 1 0.00000000 0.00000000 0.84631040 1.0 Hf Hf2 1 0.00000000 0.00000000 0.65368960 1.0 Hf Hf3 1 0.00000000 0.00000000 0.15368960 1.0 Hf Hf4 1 0.33333300 0.66666700 0.44884956 1.0 Hf Hf5 1 0.66666700 0.33333300 0.94884956 1.0 Hf Hf6 1 0.66666700 0.33333300 0.55115044 1.0 Hf Hf7 1 0.33333300 0.66666700 0.05115044 1.0 Hg Hg8 1 0.66666700 0.33333300 0.75000000 1.0 Hg Hg9 1 0.33333300 0.66666700 0.25000000 1.0 C C10 1 0.66666700 0.33333300 0.39174166 1.0 C C11 1 0.33333300 0.66666700 0.89174166 1.0 C C12 1 0.33333300 0.66666700 0.60825834 1.0 C C13 1 0.00000000 0.00000000 0.00000000 1.0 C C14 1 0.66666700 0.33333300 0.10825834 1.0 C C15 1 0.00000000 0.00000000 0.50000000 1.0