# generated using pymatgen data_Hf18FeMo8S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62321520 _cell_length_b 8.62321475 _cell_length_c 8.48698424 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999416 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf18FeMo8S _chemical_formula_sum 'Hf18 Fe1 Mo8 S1' _cell_volume 546.54066308 _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 0.20294362 0.79705638 0.44144670 1.0 Hf Hf1 1 0.20294362 0.40588724 0.44144670 1.0 Hf Hf2 1 0.59411276 0.79705638 0.44144670 1.0 Hf Hf3 1 0.80335938 0.19664062 0.54979413 1.0 Hf Hf4 1 0.80335938 0.60671776 0.54979413 1.0 Hf Hf5 1 0.39328224 0.19664062 0.54979413 1.0 Hf Hf6 1 0.80335938 0.19664062 0.95020587 1.0 Hf Hf7 1 0.80335938 0.60671776 0.95020587 1.0 Hf Hf8 1 0.39328224 0.19664062 0.95020587 1.0 Hf Hf9 1 0.20294362 0.79705638 0.05855330 1.0 Hf Hf10 1 0.20294362 0.40588724 0.05855330 1.0 Hf Hf11 1 0.59411276 0.79705638 0.05855330 1.0 Hf Hf12 1 0.54064684 0.45935316 0.25000000 1.0 Hf Hf13 1 0.54064684 0.08129468 0.25000000 1.0 Hf Hf14 1 0.91870532 0.45935316 0.25000000 1.0 Hf Hf15 1 0.45501389 0.54498611 0.75000000 1.0 Hf Hf16 1 0.45501389 0.91002778 0.75000000 1.0 Hf Hf17 1 0.08997222 0.54498611 0.75000000 1.0 Fe Fe18 1 0.33333300 0.66666700 0.25000000 1.0 Mo Mo19 1 0.88842920 0.11157080 0.25000000 1.0 Mo Mo20 1 0.88842920 0.77685640 0.25000000 1.0 Mo Mo21 1 0.22314360 0.11157080 0.25000000 1.0 Mo Mo22 1 0.11068716 0.88931284 0.75000000 1.0 Mo Mo23 1 0.11068716 0.22137431 0.75000000 1.0 Mo Mo24 1 0.77862569 0.88931284 0.75000000 1.0 Mo Mo25 1 0.00000000 0.00000000 0.49796838 1.0 Mo Mo26 1 0.00000000 0.00000000 0.00203162 1.0 S S27 1 0.66666700 0.33333300 0.75000000 1.0