# generated using pymatgen data_Hf9AsW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70299632 _cell_length_b 8.70299632 _cell_length_c 8.70966800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000247 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9AsW4 _chemical_formula_sum 'Hf18 As2 W8' _cell_volume 571.30736366 _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 0.19518200 0.39036300 0.04596100 1.0 Hf Hf1 1 0.80481800 0.60963700 0.54596100 1.0 Hf Hf2 1 0.60963700 0.80481800 0.04596100 1.0 Hf Hf3 1 0.19518200 0.80481800 0.04596100 1.0 Hf Hf4 1 0.80481800 0.19518200 0.54596100 1.0 Hf Hf5 1 0.39036300 0.19518200 0.54596100 1.0 Hf Hf6 1 0.80481800 0.60963700 0.95403900 1.0 Hf Hf7 1 0.80481800 0.19518200 0.95403900 1.0 Hf Hf8 1 0.39036300 0.19518200 0.95403900 1.0 Hf Hf9 1 0.60963700 0.80481800 0.45403900 1.0 Hf Hf10 1 0.19518200 0.80481800 0.45403900 1.0 Hf Hf11 1 0.19518200 0.39036300 0.45403900 1.0 Hf Hf12 1 0.54009300 0.08018500 0.25000000 1.0 Hf Hf13 1 0.45990700 0.91981500 0.75000000 1.0 Hf Hf14 1 0.91981500 0.45990700 0.25000000 1.0 Hf Hf15 1 0.54009300 0.45990700 0.25000000 1.0 Hf Hf16 1 0.45990700 0.54009300 0.75000000 1.0 Hf Hf17 1 0.08018500 0.54009300 0.75000000 1.0 As As18 1 0.33333300 0.66666700 0.25000000 1.0 As As19 1 0.66666700 0.33333300 0.75000000 1.0 W W20 1 0.00000000 0.00000000 0.00000000 1.0 W W21 1 0.00000000 0.00000000 0.50000000 1.0 W W22 1 0.88994300 0.77988600 0.25000000 1.0 W W23 1 0.11005700 0.22011400 0.75000000 1.0 W W24 1 0.22011400 0.11005700 0.25000000 1.0 W W25 1 0.88994300 0.11005700 0.25000000 1.0 W W26 1 0.11005700 0.88994300 0.75000000 1.0 W W27 1 0.77988600 0.88994300 0.75000000 1.0