# generated using pymatgen data_Hf9V4S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57941805 _cell_length_b 8.57941805 _cell_length_c 8.41254300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000042 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9V4S _chemical_formula_sum 'Hf18 V8 S2' _cell_volume 536.25775765 _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 0.19563400 0.39126700 0.94886600 1.0 Hf Hf1 1 0.19563400 0.80436600 0.94886600 1.0 Hf Hf2 1 0.45606200 0.91212400 0.25000000 1.0 Hf Hf3 1 0.54393800 0.45606200 0.75000000 1.0 Hf Hf4 1 0.91212400 0.45606200 0.75000000 1.0 Hf Hf5 1 0.08787600 0.54393800 0.25000000 1.0 Hf Hf6 1 0.45606200 0.54393800 0.25000000 1.0 Hf Hf7 1 0.54393800 0.08787600 0.75000000 1.0 Hf Hf8 1 0.60873300 0.80436600 0.94886600 1.0 Hf Hf9 1 0.39126700 0.19563400 0.44886600 1.0 Hf Hf10 1 0.80436600 0.60873300 0.05113400 1.0 Hf Hf11 1 0.80436600 0.19563400 0.44886600 1.0 Hf Hf12 1 0.80436600 0.60873300 0.44886600 1.0 Hf Hf13 1 0.19563400 0.80436600 0.55113400 1.0 Hf Hf14 1 0.60873300 0.80436600 0.55113400 1.0 Hf Hf15 1 0.39126700 0.19563400 0.05113400 1.0 Hf Hf16 1 0.80436600 0.19563400 0.05113400 1.0 Hf Hf17 1 0.19563400 0.39126700 0.55113400 1.0 V V18 1 0.00000000 0.00000000 0.50000000 1.0 V V19 1 0.00000000 0.00000000 0.00000000 1.0 V V20 1 0.89301500 0.78603100 0.75000000 1.0 V V21 1 0.10698500 0.89301500 0.25000000 1.0 V V22 1 0.78603100 0.89301500 0.25000000 1.0 V V23 1 0.21396900 0.10698500 0.75000000 1.0 V V24 1 0.89301500 0.10698500 0.75000000 1.0 V V25 1 0.10698500 0.21396900 0.25000000 1.0 S S26 1 0.66666700 0.33333300 0.25000000 1.0 S S27 1 0.33333300 0.66666700 0.75000000 1.0