# generated using pymatgen data_Ta9(CoS3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.31429669 _cell_length_b 10.31421681 _cell_length_c 6.58501098 _cell_angle_alpha 89.99981215 _cell_angle_beta 90.00003593 _cell_angle_gamma 120.00066807 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta9(CoS3)2 _chemical_formula_sum 'Ta18 Co4 S12' _cell_volume 606.68057210 _cell_formula_units_Z 2 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 0.73962911 0.19229485 0.50000517 1.0 Ta Ta1 1 0.47225724 0.25944886 0.00000100 1.0 Ta Ta2 1 0.54335163 0.54334671 0.24912287 1.0 Ta Ta3 1 0.99997751 0.45664277 0.75088005 1.0 Ta Ta4 1 0.54733662 0.80773357 0.49999547 1.0 Ta Ta5 1 0.19231139 0.73964616 0.49999405 1.0 Ta Ta6 1 0.26036180 0.45265229 0.49999547 1.0 Ta Ta7 1 0.45666603 0.00001222 0.75087666 1.0 Ta Ta8 1 0.80772428 0.54734037 0.49999854 1.0 Ta Ta9 1 0.74053238 0.21278552 0.00000004 1.0 Ta Ta10 1 0.25947974 0.47227350 0.00000373 1.0 Ta Ta11 1 0.78721464 0.52773362 0.00000123 1.0 Ta Ta12 1 0.99997532 0.45664263 0.24912233 1.0 Ta Ta13 1 0.52772331 0.78723217 0.00000554 1.0 Ta Ta14 1 0.45265594 0.26033682 0.50000074 1.0 Ta Ta15 1 0.54335140 0.54334808 0.75087673 1.0 Ta Ta16 1 0.45666892 0.00001785 0.24912631 1.0 Ta Ta17 1 0.21279964 0.74053218 0.00000247 1.0 Co Co18 1 0.66666365 0.33332985 0.27994011 1.0 Co Co19 1 0.66666330 0.33333037 0.72006569 1.0 Co Co20 1 0.33332827 0.66666624 0.72003324 1.0 Co Co21 1 0.33332933 0.66666702 0.27995645 1.0 S S22 1 0.29730093 0.29728196 0.76165385 1.0 S S23 1 0.70268701 0.00002175 0.76165285 1.0 S S24 1 0.72633475 0.72633539 0.49999562 1.0 S S25 1 0.27474652 0.00000222 0.00000203 1.0 S S26 1 0.00000118 0.70268968 0.76165377 1.0 S S27 1 0.29729690 0.29728445 0.23834571 1.0 S S28 1 0.00000791 0.70269471 0.23834408 1.0 S S29 1 0.99998569 0.27366616 0.49999838 1.0 S S30 1 0.99998720 0.27472364 0.00000306 1.0 S S31 1 0.72527696 0.72527535 0.00000185 1.0 S S32 1 0.70268495 0.00001525 0.23834767 1.0 S S33 1 0.27368753 0.99999780 0.49999823 1.0