# generated using pymatgen data_HoHf(NbS2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73891609 _cell_length_b 6.73891585 _cell_length_c 13.17170452 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999621 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoHf(NbS2)8 _chemical_formula_sum 'Ho1 Hf1 Nb8 S16' _cell_volume 518.02737417 _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 Ho Ho0 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb2 1 0.98908162 0.49454081 0.25920548 1.0 Nb Nb3 1 0.01091838 0.50545919 0.74079452 1.0 Nb Nb4 1 0.49454081 0.50545919 0.74079452 1.0 Nb Nb5 1 0.50545919 0.01091838 0.25920548 1.0 Nb Nb6 1 0.00000000 0.00000000 0.74143297 1.0 Nb Nb7 1 0.00000000 0.00000000 0.25856703 1.0 Nb Nb8 1 0.50545919 0.49454081 0.25920548 1.0 Nb Nb9 1 0.49454081 0.98908162 0.74079452 1.0 S S10 1 0.33333300 0.66666700 0.62074360 1.0 S S11 1 0.66666700 0.33333300 0.13813860 1.0 S S12 1 0.66666700 0.33333300 0.37925640 1.0 S S13 1 0.33333300 0.66666700 0.86186140 1.0 S S14 1 0.16773671 0.33547242 0.37874362 1.0 S S15 1 0.83158300 0.16841700 0.85969776 1.0 S S16 1 0.33683300 0.16841700 0.85969776 1.0 S S17 1 0.66452758 0.83226329 0.37874362 1.0 S S18 1 0.16773671 0.83226329 0.37874362 1.0 S S19 1 0.83158300 0.66316700 0.85969776 1.0 S S20 1 0.16841700 0.33683300 0.14030224 1.0 S S21 1 0.83226329 0.16773671 0.62125638 1.0 S S22 1 0.33547242 0.16773671 0.62125638 1.0 S S23 1 0.66316700 0.83158300 0.14030224 1.0 S S24 1 0.16841700 0.83158300 0.14030224 1.0 S S25 1 0.83226329 0.66452758 0.62125638 1.0