# generated using pymatgen data_NaTa8NiS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67790158 _cell_length_b 6.67790174 _cell_length_c 13.30389041 _cell_angle_alpha 90.00621807 _cell_angle_beta 89.99379340 _cell_angle_gamma 120.00213676 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTa8NiS16 _chemical_formula_sum 'Na1 Ta8 Ni1 S16' _cell_volume 513.78328851 _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 Na Na0 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta1 1 0.99988384 0.00011616 0.22660086 1.0 Ta Ta2 1 0.00011616 0.99988384 0.77339914 1.0 Ta Ta3 1 0.50566355 0.49433645 0.22420429 1.0 Ta Ta4 1 0.50572367 0.01162211 0.22421975 1.0 Ta Ta5 1 0.98837789 0.49427533 0.22421975 1.0 Ta Ta6 1 0.49433645 0.50566355 0.77579571 1.0 Ta Ta7 1 0.49427633 0.98837789 0.77578025 1.0 Ta Ta8 1 0.01162211 0.50572467 0.77578025 1.0 Ni Ni9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.33340689 0.66659311 0.89442915 1.0 S S11 1 0.66659311 0.33340689 0.10557085 1.0 S S12 1 0.66652920 0.33347080 0.34472937 1.0 S S13 1 0.33347080 0.66652920 0.65527063 1.0 S S14 1 0.16790604 0.83209396 0.34041824 1.0 S S15 1 0.16794104 0.33611154 0.34044252 1.0 S S16 1 0.66388846 0.83205896 0.34044252 1.0 S S17 1 0.83209396 0.16790604 0.65958176 1.0 S S18 1 0.83205896 0.66388846 0.65955748 1.0 S S19 1 0.33611154 0.16794104 0.65955748 1.0 S S20 1 0.83327992 0.16672008 0.89091469 1.0 S S21 1 0.83324231 0.66630565 0.89095315 1.0 S S22 1 0.33369435 0.16675869 0.89095315 1.0 S S23 1 0.16672008 0.83327992 0.10908531 1.0 S S24 1 0.16675769 0.33369435 0.10904685 1.0 S S25 1 0.66630565 0.83324131 0.10904685 1.0