# generated using pymatgen data_Ta6VCdS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78822962 _cell_length_b 5.78823035 _cell_length_c 12.90766941 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000723 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6VCdS12 _chemical_formula_sum 'Ta6 V1 Cd1 S12' _cell_volume 374.51566836 _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 0.00000000 0.00000000 0.51448094 1.0 Ta Ta1 1 0.00000000 0.00000000 0.98551906 1.0 Ta Ta2 1 0.33333300 0.66666700 0.98389317 1.0 Ta Ta3 1 0.66666700 0.33333300 0.98762538 1.0 Ta Ta4 1 0.66666700 0.33333300 0.51237462 1.0 Ta Ta5 1 0.33333300 0.66666700 0.51610683 1.0 V V6 1 0.66666700 0.33333300 0.75000000 1.0 Cd Cd7 1 0.33333300 0.66666700 0.25000000 1.0 S S8 1 0.33146903 0.32936278 0.39316700 1.0 S S9 1 0.67063722 0.00210625 0.39316700 1.0 S S10 1 0.99789375 0.66853097 0.39316700 1.0 S S11 1 0.33341752 0.33282515 0.63424379 1.0 S S12 1 0.99940763 0.66658248 0.63424379 1.0 S S13 1 0.66717485 0.00059237 0.63424379 1.0 S S14 1 0.66717485 0.66658248 0.86575621 1.0 S S15 1 0.33341752 0.00059237 0.86575621 1.0 S S16 1 0.99940763 0.33282515 0.86575621 1.0 S S17 1 0.67063722 0.66853097 0.10683300 1.0 S S18 1 0.99789375 0.32936278 0.10683300 1.0 S S19 1 0.33146903 0.00210625 0.10683300 1.0