# generated using pymatgen data_Hf3Sc2Ni9As7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.66126669 _cell_length_b 9.66080815 _cell_length_c 3.74691261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99646057 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Sc2Ni9As7 _chemical_formula_sum 'Hf3 Sc2 Ni9 As7' _cell_volume 302.87763979 _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 0.23258492 0.12378160 0.50000000 1.0 Hf Hf1 1 0.87620363 0.10881803 0.50000000 1.0 Hf Hf2 1 0.89118655 0.76739416 0.50000000 1.0 Sc Sc3 1 0.33334484 0.66668815 0.00000000 1.0 Sc Sc4 1 0.66669110 0.33335891 0.50000000 1.0 Ni Ni5 1 0.12628866 0.28571663 0.00000000 1.0 Ni Ni6 1 0.71433115 0.84057692 0.00000000 1.0 Ni Ni7 1 0.15941797 0.87373638 0.00000000 1.0 Ni Ni8 1 0.42547649 0.36054523 0.00000000 1.0 Ni Ni9 1 0.63946407 0.06498407 0.00000000 1.0 Ni Ni10 1 0.93507059 0.57449163 0.00000000 1.0 Ni Ni11 1 0.05925181 0.44046248 0.50000000 1.0 Ni Ni12 1 0.55947297 0.61869318 0.50000000 1.0 Ni Ni13 1 0.38122600 0.94074232 0.50000000 1.0 As As14 1 0.29373095 0.42341414 0.50000000 1.0 As As15 1 0.57658918 0.87030794 0.50000000 1.0 As As16 1 0.12966936 0.70625306 0.50000000 1.0 As As17 1 0.43014271 0.11563538 0.00000000 1.0 As As18 1 0.88439055 0.31452541 0.00000000 1.0 As As19 1 0.68548471 0.56986392 0.00000000 1.0 As As20 1 0.99998382 0.00000846 0.00000000 1.0