# generated using pymatgen data_Zr6CoS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.45109969 _cell_length_b 12.75865100 _cell_length_c 15.49970187 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6CoS2 _chemical_formula_sum 'Zr24 Co4 S8' _cell_volume 682.47320806 _cell_formula_units_Z 4 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 Zr Zr0 1 0.00000000 0.02228037 0.10435535 1.0 Zr Zr1 1 0.00000000 0.97771963 0.89564465 1.0 Zr Zr2 1 0.50000000 0.47771963 0.60435535 1.0 Zr Zr3 1 0.50000000 0.52228037 0.39564465 1.0 Zr Zr4 1 0.00000000 0.41185576 0.25143163 1.0 Zr Zr5 1 0.00000000 0.58814424 0.74856837 1.0 Zr Zr6 1 0.50000000 0.08814424 0.75143163 1.0 Zr Zr7 1 0.50000000 0.91185576 0.24856837 1.0 Zr Zr8 1 0.00000000 0.09043513 0.57955508 1.0 Zr Zr9 1 0.00000000 0.90956487 0.42044492 1.0 Zr Zr10 1 0.50000000 0.40956487 0.07955508 1.0 Zr Zr11 1 0.50000000 0.59043513 0.92044492 1.0 Zr Zr12 1 0.00000000 0.32866232 0.48503938 1.0 Zr Zr13 1 0.00000000 0.67133768 0.51496062 1.0 Zr Zr14 1 0.50000000 0.17133768 0.98503938 1.0 Zr Zr15 1 0.50000000 0.82866232 0.01496062 1.0 Zr Zr16 1 0.00000000 0.69657418 0.29608271 1.0 Zr Zr17 1 0.00000000 0.30342582 0.70391729 1.0 Zr Zr18 1 0.50000000 0.80342582 0.79608271 1.0 Zr Zr19 1 0.50000000 0.19657418 0.20391729 1.0 Zr Zr20 1 0.00000000 0.61843541 0.08833954 1.0 Zr Zr21 1 0.00000000 0.38156459 0.91166046 1.0 Zr Zr22 1 0.50000000 0.88156459 0.58833954 1.0 Zr Zr23 1 0.50000000 0.11843541 0.41166046 1.0 Co Co24 1 0.00000000 0.26012722 0.09069671 1.0 Co Co25 1 0.00000000 0.73987278 0.90930329 1.0 Co Co26 1 0.50000000 0.23987278 0.59069671 1.0 Co Co27 1 0.50000000 0.76012722 0.40930329 1.0 S S28 1 0.00000000 0.06269814 0.28591472 1.0 S S29 1 0.00000000 0.93730186 0.71408528 1.0 S S30 1 0.50000000 0.43730186 0.78591472 1.0 S S31 1 0.50000000 0.56269814 0.21408528 1.0 S S32 1 0.00000000 0.81064798 0.15121504 1.0 S S33 1 0.00000000 0.18935202 0.84878496 1.0 S S34 1 0.50000000 0.68935202 0.65121504 1.0 S S35 1 0.50000000 0.31064798 0.34878496 1.0