# generated using pymatgen data_Ta8CdNiS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69105497 _cell_length_b 6.69105447 _cell_length_c 12.72797280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000739 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta8CdNiS16 _chemical_formula_sum 'Ta8 Cd1 Ni1 S16' _cell_volume 493.49073294 _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 Ta Ta0 1 0.50676682 0.49323318 0.76638245 1.0 Ta Ta1 1 0.01353363 0.50676682 0.23361755 1.0 Ta Ta2 1 0.49323318 0.98646637 0.23361755 1.0 Ta Ta3 1 0.50676682 0.01353363 0.76638245 1.0 Ta Ta4 1 0.98646637 0.49323318 0.76638245 1.0 Ta Ta5 1 0.49323318 0.50676682 0.23361755 1.0 Ta Ta6 1 0.00000000 0.00000000 0.76546978 1.0 Ta Ta7 1 0.00000000 0.00000000 0.23453022 1.0 Cd Cd8 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.83058779 0.16941221 0.35506982 1.0 S S11 1 0.83058779 0.66117557 0.35506982 1.0 S S12 1 0.33882443 0.16941221 0.35506982 1.0 S S13 1 0.66540921 0.83270410 0.88613597 1.0 S S14 1 0.16941221 0.33882443 0.64493018 1.0 S S15 1 0.16729590 0.83270410 0.88613597 1.0 S S16 1 0.16729590 0.33459079 0.88613597 1.0 S S17 1 0.83270410 0.16729590 0.11386403 1.0 S S18 1 0.33459079 0.16729590 0.11386403 1.0 S S19 1 0.66117557 0.83058779 0.64493018 1.0 S S20 1 0.33333300 0.66666700 0.10916923 1.0 S S21 1 0.66666700 0.33333300 0.63999436 1.0 S S22 1 0.66666700 0.33333300 0.89083077 1.0 S S23 1 0.33333300 0.66666700 0.36000564 1.0 S S24 1 0.83270410 0.66540921 0.11386403 1.0 S S25 1 0.16941221 0.83058779 0.64493018 1.0