# generated using pymatgen data_Hf3(CuSi)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.89003585 _cell_length_b 6.32216862 _cell_length_c 7.45696328 _cell_angle_alpha 115.09811591 _cell_angle_beta 105.11946872 _cell_angle_gamma 89.99999603 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3(CuSi)4 _chemical_formula_sum 'Hf3 Cu4 Si4' _cell_volume 159.03914496 _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 0.87568015 0.87589048 0.75136231 1.0 Hf Hf1 1 0.12431985 0.12410952 0.24863769 1.0 Hf Hf2 1 -0.00000000 0.50000000 0.00000000 1.0 Cu Cu3 1 0.32995277 0.52349821 0.65990653 1.0 Cu Cu4 1 0.66968669 0.86276859 0.33937237 1.0 Cu Cu5 1 0.33031331 0.13723141 0.66062763 1.0 Cu Cu6 1 0.67004723 0.47650179 0.34009347 1.0 Si Si7 1 0.49993302 0.80810858 -0.00013196 1.0 Si Si8 1 0.50006698 0.19189142 0.00013196 1.0 Si Si9 1 0.78451048 0.28431418 0.56902197 1.0 Si Si10 1 0.21548952 0.71568582 0.43097803 1.0