# generated using pymatgen data_Hf9Re4S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.10499236 _cell_length_b 12.10499236 _cell_length_c 14.82583200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000197 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re4S _chemical_formula_sum 'Hf54 Re24 S6' _cell_volume 1881.38959137 _cell_formula_units_Z 6 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 0.54648400 0.70146600 0.64926700 1.0 Hf Hf1 1 0.21315000 0.03480000 0.98260000 1.0 Hf Hf2 1 0.87981700 0.36813300 0.31593300 1.0 Hf Hf3 1 0.68406700 0.56388400 0.51168400 1.0 Hf Hf4 1 0.35073300 0.89721700 0.84501700 1.0 Hf Hf5 1 0.01740000 0.23055000 0.17835100 1.0 Hf Hf6 1 0.82164900 0.83904900 0.78685000 1.0 Hf Hf7 1 0.48831600 0.17238300 0.12018300 1.0 Hf Hf8 1 0.15498300 0.50571600 0.45351600 1.0 Hf Hf9 1 0.45351600 0.29853400 0.35073300 1.0 Hf Hf10 1 0.12018300 0.63186700 0.68406700 1.0 Hf Hf11 1 0.78685000 0.96520000 0.01740000 1.0 Hf Hf12 1 0.31593300 0.43611600 0.48831600 1.0 Hf Hf13 1 0.98260000 0.76945000 0.82164900 1.0 Hf Hf14 1 0.64926700 0.10278300 0.15498300 1.0 Hf Hf15 1 0.17835100 0.16095100 0.21315000 1.0 Hf Hf16 1 0.84501700 0.49428400 0.54648400 1.0 Hf Hf17 1 0.51168400 0.82761700 0.87981700 1.0 Hf Hf18 1 0.32164900 0.03480000 0.48260000 1.0 Hf Hf19 1 0.98831600 0.36813300 0.81593300 1.0 Hf Hf20 1 0.65498300 0.70146600 0.14926700 1.0 Hf Hf21 1 0.18406700 0.17238300 0.62018300 1.0 Hf Hf22 1 0.85073300 0.50571600 0.95351600 1.0 Hf Hf23 1 0.51740000 0.83904900 0.28685000 1.0 Hf Hf24 1 0.04648400 0.89721700 0.34501700 1.0 Hf Hf25 1 0.71315000 0.23055000 0.67835100 1.0 Hf Hf26 1 0.37981700 0.56388400 0.01168400 1.0 Hf Hf27 1 0.67835100 0.96520000 0.51740000 1.0 Hf Hf28 1 0.34501700 0.29853400 0.85073300 1.0 Hf Hf29 1 0.01168400 0.63186700 0.18406700 1.0 Hf Hf30 1 0.81593300 0.82761700 0.37981700 1.0 Hf Hf31 1 0.48260000 0.16095100 0.71315000 1.0 Hf Hf32 1 0.14926700 0.49428400 0.04648400 1.0 Hf Hf33 1 0.95351600 0.10278300 0.65498300 1.0 Hf Hf34 1 0.62018300 0.43611600 0.98831600 1.0 Hf Hf35 1 0.28685000 0.76945000 0.32164900 1.0 Hf Hf36 1 0.95936400 0.83333300 0.58333300 1.0 Hf Hf37 1 0.62603100 0.16666700 0.91666700 1.0 Hf Hf38 1 0.29269800 0.50000000 0.25000000 1.0 Hf Hf39 1 0.08333300 0.70936400 0.45936400 1.0 Hf Hf40 1 0.75000000 0.04269800 0.79269800 1.0 Hf Hf41 1 0.41666700 0.37603100 0.12603100 1.0 Hf Hf42 1 0.20730200 0.95730200 0.70730200 1.0 Hf Hf43 1 0.87396900 0.29063600 0.04063600 1.0 Hf Hf44 1 0.54063600 0.62396900 0.37396900 1.0 Hf Hf45 1 0.04063600 0.16666700 0.41666700 1.0 Hf Hf46 1 0.70730200 0.50000000 0.75000000 1.0 Hf Hf47 1 0.37396900 0.83333300 0.08333300 1.0 Hf Hf48 1 0.91666700 0.29063600 0.54063600 1.0 Hf Hf49 1 0.58333300 0.62396900 0.87396900 1.0 Hf Hf50 1 0.25000000 0.95730200 0.20730200 1.0 Hf Hf51 1 0.79269800 0.04269800 0.29269800 1.0 Hf Hf52 1 0.45936400 0.37603100 0.62603100 1.0 Hf Hf53 1 0.12603100 0.70936400 0.95936400 1.0 Re Re54 1 0.30678600 0.83333300 0.58333300 1.0 Re Re55 1 0.97345300 0.16666700 0.91666700 1.0 Re Re56 1 0.64011900 0.50000000 0.25000000 1.0 Re Re57 1 0.08333300 0.05678600 0.80678600 1.0 Re Re58 1 0.75000000 0.39011900 0.14011900 1.0 Re Re59 1 0.41666700 0.72345300 0.47345300 1.0 Re Re60 1 0.85988100 0.60988100 0.35988100 1.0 Re Re61 1 0.52654700 0.94321400 0.69321400 1.0 Re Re62 1 0.19321400 0.27654700 0.02654700 1.0 Re Re63 1 0.69321400 0.16666700 0.41666700 1.0 Re Re64 1 0.35988100 0.50000000 0.75000000 1.0 Re Re65 1 0.02654700 0.83333300 0.08333300 1.0 Re Re66 1 0.91666700 0.94321400 0.19321400 1.0 Re Re67 1 0.58333300 0.27654700 0.52654700 1.0 Re Re68 1 0.25000000 0.60988100 0.85988100 1.0 Re Re69 1 0.14011900 0.39011900 0.64011900 1.0 Re Re70 1 0.80678600 0.72345300 0.97345300 1.0 Re Re71 1 0.47345300 0.05678600 0.30678600 1.0 Re Re72 1 0.00000000 0.00000000 0.00000000 1.0 Re Re73 1 0.66666700 0.33333300 0.33333300 1.0 Re Re74 1 0.33333300 0.66666700 0.66666700 1.0 Re Re75 1 0.83333300 0.66666700 0.16666700 1.0 Re Re76 1 0.50000000 0.00000000 0.50000000 1.0 Re Re77 1 0.16666700 0.33333300 0.83333300 1.0 S S78 1 0.75000000 0.83333300 0.58333300 1.0 S S79 1 0.41666700 0.16666700 0.91666700 1.0 S S80 1 0.08333300 0.50000000 0.25000000 1.0 S S81 1 0.25000000 0.16666700 0.41666700 1.0 S S82 1 0.91666700 0.50000000 0.75000000 1.0 S S83 1 0.58333300 0.83333300 0.08333300 1.0