# generated using pymatgen data_Hf(TaS2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65491421 _cell_length_b 6.65491681 _cell_length_c 12.78180548 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998710 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf(TaS2)4 _chemical_formula_sum 'Hf2 Ta8 S16' _cell_volume 490.23914275 _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 0.00000000 0.00000000 0.50000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta2 1 0.50585298 0.49414702 0.75000000 1.0 Ta Ta3 1 0.01170597 0.50585298 0.25000000 1.0 Ta Ta4 1 0.49414702 0.98829503 0.25000000 1.0 Ta Ta5 1 0.50585298 0.01170497 0.75000000 1.0 Ta Ta6 1 0.98829403 0.49414702 0.75000000 1.0 Ta Ta7 1 0.49414702 0.50585298 0.25000000 1.0 Ta Ta8 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta9 1 0.00000000 0.00000000 0.25000000 1.0 S S10 1 0.83176033 0.16823967 0.37330860 1.0 S S11 1 0.83176033 0.66352066 0.37330860 1.0 S S12 1 0.33647934 0.16823967 0.37330860 1.0 S S13 1 0.66352066 0.83176033 0.87330860 1.0 S S14 1 0.16823967 0.33647934 0.62669140 1.0 S S15 1 0.16823967 0.83176033 0.87330860 1.0 S S16 1 0.16823967 0.33647934 0.87330860 1.0 S S17 1 0.83176033 0.16823967 0.12669140 1.0 S S18 1 0.33647934 0.16823967 0.12669140 1.0 S S19 1 0.66352066 0.83176033 0.62669140 1.0 S S20 1 0.33333300 0.66666600 0.12483031 1.0 S S21 1 0.66666700 0.33333400 0.62483031 1.0 S S22 1 0.66666700 0.33333400 0.87516969 1.0 S S23 1 0.33333300 0.66666600 0.37516969 1.0 S S24 1 0.83176033 0.66352066 0.12669140 1.0 S S25 1 0.16823967 0.83176033 0.62669140 1.0