# generated using pymatgen data_Ac6GaSiI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.47761297 _cell_length_b 11.47761361 _cell_length_c 11.41939771 _cell_angle_alpha 109.48289387 _cell_angle_beta 109.48289844 _cell_angle_gamma 109.65359563 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac6GaSiI6 _chemical_formula_sum 'Ac12 Ga2 Si2 I12' _cell_volume 1155.09035130 _cell_formula_units_Z 2 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 Ac Ac0 1 0.47093312 0.48683412 0.23499200 1.0 Ac Ac1 1 0.75184212 0.23594112 0.26500800 1.0 Ac Ac2 1 0.75197834 0.01543888 0.48695686 1.0 Ac Ac3 1 0.23497852 0.47151798 0.48695686 1.0 Ac Ac4 1 0.26405888 0.74815788 0.23499200 1.0 Ac Ac5 1 0.02848202 0.26502148 0.01304314 1.0 Ac Ac6 1 0.01316588 0.02906688 0.26500800 1.0 Ac Ac7 1 0.48456112 0.74802166 0.01304314 1.0 Ac Ac8 1 0.48634148 0.23634148 0.47268295 1.0 Ac Ac9 1 0.01522889 0.48477111 0.75000000 1.0 Ac Ac10 1 0.26365852 0.01365852 0.02731705 1.0 Ac Ac11 1 0.23477111 0.26522889 0.75000000 1.0 Ga Ga12 1 0.24988195 0.25011805 0.25000000 1.0 Ga Ga13 1 0.50011805 0.99988195 0.25000000 1.0 Si Si14 1 0.00014325 0.25014325 0.50028550 1.0 Si Si15 1 0.24985675 0.49985675 0.99971450 1.0 I I16 1 0.24859398 0.75726240 0.73924486 1.0 I I17 1 0.51801754 0.50935012 0.76075514 1.0 I I18 1 0.98141463 0.73931923 0.99054950 1.0 I I19 1 0.74273760 0.25140602 0.76075514 1.0 I I20 1 0.99064988 0.98198246 0.73924486 1.0 I I21 1 0.24876973 0.99086412 0.50945050 1.0 I I22 1 0.76068077 0.51858537 0.50945050 1.0 I I23 1 0.50913588 0.25123027 0.99054950 1.0 I I24 1 0.75941833 0.74058167 0.25000000 1.0 I I25 1 0.74043649 0.99043649 0.98087297 1.0 I I26 1 0.99058167 0.50941833 0.25000000 1.0 I I27 1 0.50956351 0.75956351 0.51912703 1.0