# generated using pymatgen data_Rb(HfS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27229618 _cell_length_b 7.24929209 _cell_length_c 16.28423849 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb(HfS2)2 _chemical_formula_sum 'Rb4 Hf8 S16' _cell_volume 740.43955358 _cell_formula_units_Z 4 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 Rb Rb0 1 0.35134108 0.00000000 0.00000000 1.0 Rb Rb1 1 0.64865892 0.50000000 0.50000000 1.0 Rb Rb2 1 0.03067147 0.00000000 0.50000000 1.0 Rb Rb3 1 0.96932853 0.50000000 0.00000000 1.0 Hf Hf4 1 0.00071883 0.00000000 0.24863821 1.0 Hf Hf5 1 0.00071883 0.00000000 0.75136179 1.0 Hf Hf6 1 0.99928117 0.50000000 0.25136179 1.0 Hf Hf7 1 0.99928117 0.50000000 0.74863821 1.0 Hf Hf8 1 0.50000000 0.25000000 0.25000000 1.0 Hf Hf9 1 0.50000000 0.75000000 0.75000000 1.0 Hf Hf10 1 0.50000000 0.75000000 0.25000000 1.0 Hf Hf11 1 0.50000000 0.25000000 0.75000000 1.0 S S12 1 0.83441934 0.24846442 0.34105525 1.0 S S13 1 0.83441934 0.75153558 0.65894475 1.0 S S14 1 0.16558066 0.74846442 0.15894475 1.0 S S15 1 0.16558066 0.25153558 0.84105525 1.0 S S16 1 0.16558066 0.25153558 0.15894475 1.0 S S17 1 0.16558066 0.74846442 0.84105525 1.0 S S18 1 0.83441934 0.75153558 0.34105525 1.0 S S19 1 0.83441934 0.24846442 0.65894475 1.0 S S20 1 0.66782270 0.00000000 0.15950027 1.0 S S21 1 0.66782270 0.00000000 0.84049973 1.0 S S22 1 0.33217730 0.50000000 0.34049973 1.0 S S23 1 0.33217730 0.50000000 0.65950027 1.0 S S24 1 0.33601418 0.00000000 0.33937257 1.0 S S25 1 0.33601418 0.00000000 0.66062743 1.0 S S26 1 0.66398582 0.50000000 0.16062743 1.0 S S27 1 0.66398582 0.50000000 0.83937257 1.0