# generated using pymatgen data_Cr8Co3NiS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89893500 _cell_length_b 6.89893500 _cell_length_c 9.74433300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr8Co3NiS16 _chemical_formula_sum 'Cr8 Co3 Ni1 S16' _cell_volume 463.78449272 _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 0.74890500 0.00000000 0.62455800 1.0 Cr Cr1 1 0.25130200 0.50000000 0.12544200 1.0 Cr Cr2 1 0.25109500 0.00000000 0.62455800 1.0 Cr Cr3 1 0.74869800 0.50000000 0.12544200 1.0 Cr Cr4 1 0.00000000 0.25109500 0.37544200 1.0 Cr Cr5 1 0.50000000 0.74869800 0.87455800 1.0 Cr Cr6 1 0.50000000 0.25130200 0.87455800 1.0 Cr Cr7 1 0.00000000 0.74890500 0.37544200 1.0 Co Co8 1 0.00000000 0.00000000 0.00000000 1.0 Co Co9 1 0.50000000 0.00000000 0.24965400 1.0 Co Co10 1 0.00000000 0.50000000 0.75034600 1.0 Ni Ni11 1 0.50000000 0.50000000 0.50000000 1.0 S S12 1 0.76098100 0.50000000 0.36947500 1.0 S S13 1 0.26039700 0.00000000 0.86997400 1.0 S S14 1 0.23901900 0.50000000 0.36947500 1.0 S S15 1 0.73960300 0.00000000 0.86997400 1.0 S S16 1 0.50000000 0.23901900 0.63052500 1.0 S S17 1 0.00000000 0.73960300 0.13002600 1.0 S S18 1 0.50000000 0.76098100 0.63052500 1.0 S S19 1 0.00000000 0.26039700 0.13002600 1.0 S S20 1 0.24164100 0.00000000 0.37946100 1.0 S S21 1 0.74096400 0.50000000 0.87883300 1.0 S S22 1 0.75835900 0.00000000 0.37946100 1.0 S S23 1 0.25903600 0.50000000 0.87883300 1.0 S S24 1 0.50000000 0.25903600 0.12116700 1.0 S S25 1 0.00000000 0.75835900 0.62053900 1.0 S S26 1 0.50000000 0.74096400 0.12116700 1.0 S S27 1 0.00000000 0.24164100 0.62053900 1.0