# generated using pymatgen data_Dy3SiI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.44350065 _cell_length_b 10.44350002 _cell_length_c 10.44350022 _cell_angle_alpha 109.47121911 _cell_angle_beta 109.47121788 _cell_angle_gamma 109.47122190 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy3SiI3 _chemical_formula_sum 'Dy12 Si4 I12' _cell_volume 876.83196951 _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 Dy Dy0 1 0.46148946 0.48074473 0.23074473 1.0 Dy Dy1 1 0.75000000 0.23074473 0.26925527 1.0 Dy Dy2 1 0.75000000 0.01925527 0.48074473 1.0 Dy Dy3 1 0.23074473 0.46148946 0.48074473 1.0 Dy Dy4 1 0.26925527 0.75000000 0.23074473 1.0 Dy Dy5 1 0.03851054 0.26925527 0.01925527 1.0 Dy Dy6 1 0.01925527 0.03851054 0.26925527 1.0 Dy Dy7 1 0.48074473 0.75000000 0.01925527 1.0 Dy Dy8 1 0.48074473 0.23074473 0.46148946 1.0 Dy Dy9 1 0.01925527 0.48074473 0.75000000 1.0 Dy Dy10 1 0.26925527 0.01925527 0.03851054 1.0 Dy Dy11 1 0.23074473 0.26925527 0.75000000 1.0 Si Si12 1 0.25000000 0.25000000 0.25000000 1.0 Si Si13 1 0.50000000 0.00000000 0.25000000 1.0 Si Si14 1 0.00000000 0.25000000 0.50000000 1.0 Si Si15 1 0.25000000 0.50000000 0.00000000 1.0 I I16 1 0.25000000 0.75632840 0.74367160 1.0 I I17 1 0.51265580 0.50632840 0.75632840 1.0 I I18 1 0.98734420 0.74367160 0.99367160 1.0 I I19 1 0.74367160 0.25000000 0.75632840 1.0 I I20 1 0.99367160 0.98734420 0.74367160 1.0 I I21 1 0.25000000 0.99367160 0.50632840 1.0 I I22 1 0.75632840 0.51265580 0.50632840 1.0 I I23 1 0.50632840 0.25000000 0.99367160 1.0 I I24 1 0.75632840 0.74367160 0.25000000 1.0 I I25 1 0.74367160 0.99367160 0.98734420 1.0 I I26 1 0.99367160 0.50632840 0.25000000 1.0 I I27 1 0.50632840 0.75632840 0.51265580 1.0