# generated using pymatgen data_Hf6Zn5CuC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.47045669 _cell_length_b 8.47045619 _cell_length_c 8.48255987 _cell_angle_alpha 59.95272393 _cell_angle_beta 59.95272588 _cell_angle_gamma 59.89063724 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6Zn5CuC2 _chemical_formula_sum 'Hf12 Zn10 Cu2 C4' _cell_volume 429.68989482 _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 0.44112551 0.44112551 0.05887449 1.0 Hf Hf1 1 0.05766561 0.44090686 0.06070710 1.0 Hf Hf2 1 0.44090686 0.05766561 0.06070710 1.0 Hf Hf3 1 0.05934242 0.05934242 0.44065758 1.0 Hf Hf4 1 0.44090686 0.05766561 0.44072043 1.0 Hf Hf5 1 0.05766561 0.44090686 0.44072043 1.0 Hf Hf6 1 0.80887449 0.80887449 0.19112551 1.0 Hf Hf7 1 0.19233439 0.80909314 0.18929290 1.0 Hf Hf8 1 0.80909314 0.19233439 0.18929290 1.0 Hf Hf9 1 0.19065758 0.19065758 0.80934242 1.0 Hf Hf10 1 0.80909314 0.19233439 0.80927957 1.0 Hf Hf11 1 0.19233439 0.80909314 0.80927957 1.0 Zn Zn12 1 0.82850657 0.82850657 0.50736155 1.0 Zn Zn13 1 0.82603950 0.50938413 0.83228819 1.0 Zn Zn14 1 0.50938413 0.82603950 0.83228819 1.0 Zn Zn15 1 0.82850657 0.82850657 0.83562431 1.0 Zn Zn16 1 0.42149343 0.42149343 0.74263845 1.0 Zn Zn17 1 0.42396050 0.74061587 0.41771181 1.0 Zn Zn18 1 0.74061587 0.42396050 0.41771181 1.0 Zn Zn19 1 0.42149343 0.42149343 0.41437569 1.0 Zn Zn20 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn21 1 0.12500000 0.62500000 0.62500000 1.0 Cu Cu22 1 0.62500000 0.62500000 0.12500000 1.0 Cu Cu23 1 0.62500000 0.62500000 0.62500000 1.0 C C24 1 0.12500000 0.12500000 0.62500000 1.0 C C25 1 0.12500000 0.62500000 0.12500000 1.0 C C26 1 0.62500000 0.12500000 0.12500000 1.0 C C27 1 0.12500000 0.12500000 0.12500000 1.0