# generated using pymatgen data_Hf9ReAsW3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65858843 _cell_length_b 8.64185346 _cell_length_c 8.65739368 _cell_angle_alpha 90.03519148 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.06407969 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9ReAsW3 _chemical_formula_sum 'Hf18 Re2 As2 W6' _cell_volume 560.64879493 _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 0.19333802 0.38667504 0.04819496 1.0 Hf Hf1 1 0.80518482 0.61037063 0.54519205 1.0 Hf Hf2 1 0.61305510 0.80645633 0.04812090 1.0 Hf Hf3 1 0.19340223 0.80645633 0.04812090 1.0 Hf Hf4 1 0.80519558 0.19529776 0.54586950 1.0 Hf Hf5 1 0.39010118 0.19529776 0.54586950 1.0 Hf Hf6 1 0.80678979 0.61358157 0.95460952 1.0 Hf Hf7 1 0.80653510 0.19386986 0.95320214 1.0 Hf Hf8 1 0.38733375 0.19386986 0.95320214 1.0 Hf Hf9 1 0.61014974 0.80518423 0.45286124 1.0 Hf Hf10 1 0.19503549 0.80518423 0.45286124 1.0 Hf Hf11 1 0.19474301 0.38948603 0.45242559 1.0 Hf Hf12 1 0.54134812 0.08269523 0.24865694 1.0 Hf Hf13 1 0.45945596 0.91891293 0.75140688 1.0 Hf Hf14 1 0.91671772 0.45883273 0.24882980 1.0 Hf Hf15 1 0.54211601 0.45883273 0.24882980 1.0 Hf Hf16 1 0.45969180 0.54067574 0.75149172 1.0 Hf Hf17 1 0.08098294 0.54067574 0.75149172 1.0 Re Re18 1 0.99975707 0.99951515 0.99957047 1.0 Re Re19 1 0.88977921 0.77955943 0.25070558 1.0 As As20 1 0.33378356 0.66756813 0.24887512 1.0 As As21 1 0.66715439 0.33430777 0.75121354 1.0 W W22 1 0.99970760 0.99941520 0.50001182 1.0 W W23 1 0.10945806 0.21891611 0.74928228 1.0 W W24 1 0.21826970 0.10898036 0.25004986 1.0 W W25 1 0.89070966 0.10898036 0.25004986 1.0 W W26 1 0.10919529 0.89020238 0.74950147 1.0 W W27 1 0.78100609 0.89020238 0.74950147 1.0