# generated using pymatgen data_DyMgS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67677000 _cell_length_b 6.67677049 _cell_length_c 18.13022700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999758 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyMgS3 _chemical_formula_sum 'Dy6 Mg6 S18' _cell_volume 699.94956481 _cell_formula_units_Z 6 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 Dy Dy0 1 0.00000000 0.00000000 0.34615700 1.0 Dy Dy1 1 0.00000000 0.00000000 0.65384300 1.0 Dy Dy2 1 0.66666700 0.33333300 0.67949000 1.0 Dy Dy3 1 0.66666700 0.33333300 0.98717600 1.0 Dy Dy4 1 0.33333300 0.66666700 0.01282400 1.0 Dy Dy5 1 0.33333300 0.66666700 0.32051000 1.0 Mg Mg6 1 0.00000000 0.00000000 0.15422800 1.0 Mg Mg7 1 0.00000000 0.00000000 0.84577200 1.0 Mg Mg8 1 0.66666700 0.33333300 0.48756100 1.0 Mg Mg9 1 0.66666700 0.33333300 0.17910500 1.0 Mg Mg10 1 0.33333300 0.66666700 0.82089500 1.0 Mg Mg11 1 0.33333300 0.66666700 0.51243900 1.0 S S12 1 0.98155400 0.34314500 0.58026800 1.0 S S13 1 0.01844600 0.65685500 0.41973200 1.0 S S14 1 0.65685500 0.63840800 0.58026800 1.0 S S15 1 0.34314500 0.36159200 0.41973200 1.0 S S16 1 0.36159200 0.01844600 0.58026800 1.0 S S17 1 0.63840800 0.98155400 0.41973200 1.0 S S18 1 0.64822100 0.67647800 0.91360100 1.0 S S19 1 0.68511300 0.99018800 0.75306500 1.0 S S20 1 0.32352200 0.97174100 0.91360100 1.0 S S21 1 0.00981200 0.69492500 0.75306500 1.0 S S22 1 0.02825900 0.35177900 0.91360100 1.0 S S23 1 0.30507500 0.31488700 0.75306500 1.0 S S24 1 0.31488700 0.00981200 0.24693500 1.0 S S25 1 0.35177900 0.32352200 0.08639900 1.0 S S26 1 0.99018800 0.30507500 0.24693500 1.0 S S27 1 0.67647800 0.02825900 0.08639900 1.0 S S28 1 0.69492500 0.68511300 0.24693500 1.0 S S29 1 0.97174100 0.64822100 0.08639900 1.0