# generated using pymatgen data_HfZr2HgC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33111901 _cell_length_b 3.33111952 _cell_length_c 20.17387147 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000476 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr2HgC2 _chemical_formula_sum 'Hf2 Zr4 Hg2 C4' _cell_volume 193.86536401 _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 0.00000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.50000000 1.0 Zr Zr2 1 0.33333300 0.66666600 0.12687142 1.0 Zr Zr3 1 0.33333300 0.66666600 0.37312858 1.0 Zr Zr4 1 0.66666500 0.33333300 0.62687142 1.0 Zr Zr5 1 0.66666500 0.33333300 0.87312858 1.0 Hg Hg6 1 0.00000000 0.00000000 0.25000000 1.0 Hg Hg7 1 0.00000000 0.00000000 0.75000000 1.0 C C8 1 0.66666500 0.33333300 0.06770838 1.0 C C9 1 0.66666500 0.33333300 0.43229162 1.0 C C10 1 0.33333300 0.66666600 0.56770838 1.0 C C11 1 0.33333300 0.66666600 0.93229162 1.0