# generated using pymatgen data_Cr8Co3NiS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.87914624 _cell_length_b 11.87914624 _cell_length_c 11.87914643 _cell_angle_alpha 33.89832817 _cell_angle_beta 33.89832817 _cell_angle_gamma 33.89833229 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr8Co3NiS16 _chemical_formula_sum 'Cr8 Co3 Ni1 S16' _cell_volume 464.70480468 _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 Cr Cr0 1 0.00116700 0.00116700 0.00116700 1.0 Cr Cr1 1 0.50052400 0.50052400 0.50052400 1.0 Cr Cr2 1 0.75131800 0.24860700 0.24860700 1.0 Cr Cr3 1 0.25071700 0.74961400 0.74961400 1.0 Cr Cr4 1 0.24860700 0.75131800 0.24860700 1.0 Cr Cr5 1 0.74961400 0.25071700 0.74961400 1.0 Cr Cr6 1 0.24860700 0.24860700 0.75131800 1.0 Cr Cr7 1 0.74961400 0.74961400 0.25071700 1.0 Co Co8 1 0.18775400 0.18775400 0.18775400 1.0 Co Co9 1 0.81189100 0.81189100 0.81189100 1.0 Co Co10 1 0.31209300 0.31209300 0.31209300 1.0 Ni Ni11 1 0.68771500 0.68771500 0.68771500 1.0 S S12 1 0.12167700 0.12167700 0.12167700 1.0 S S13 1 0.62181800 0.62181800 0.62181800 1.0 S S14 1 0.36323600 0.88249200 0.88249200 1.0 S S15 1 0.86227600 0.38332900 0.38332900 1.0 S S16 1 0.88249200 0.36323600 0.88249200 1.0 S S17 1 0.38332900 0.86227600 0.38332900 1.0 S S18 1 0.88249200 0.88249200 0.36323600 1.0 S S19 1 0.38332900 0.38332900 0.86227600 1.0 S S20 1 0.37780800 0.37780800 0.37780800 1.0 S S21 1 0.87791500 0.87791500 0.87791500 1.0 S S22 1 0.13969500 0.61602700 0.61602700 1.0 S S23 1 0.63654900 0.11785500 0.11785500 1.0 S S24 1 0.61602700 0.13969500 0.61602700 1.0 S S25 1 0.11785500 0.63654900 0.11785500 1.0 S S26 1 0.61602700 0.61602700 0.13969500 1.0 S S27 1 0.11785500 0.11785500 0.63654900 1.0