# generated using pymatgen data_Ac6Si7I3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32434090 _cell_length_b 12.71183257 _cell_length_c 17.86335429 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac6Si7I3 _chemical_formula_sum 'Ac12 Si14 I6' _cell_volume 981.95389932 _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 0.50000000 0.35174952 0.50000000 1.0 Ac Ac1 1 0.00000000 0.64825048 0.00000000 1.0 Ac Ac2 1 0.50000000 0.36388743 0.75668839 1.0 Ac Ac3 1 0.00000000 0.63611257 0.74331161 1.0 Ac Ac4 1 0.50000000 0.36388743 0.24331161 1.0 Ac Ac5 1 0.00000000 0.63611257 0.25668839 1.0 Ac Ac6 1 0.50000000 0.08138728 0.88331120 1.0 Ac Ac7 1 0.00000000 0.91861272 0.61668880 1.0 Ac Ac8 1 0.50000000 0.08138728 0.11668880 1.0 Ac Ac9 1 0.00000000 0.91861272 0.38331120 1.0 Ac Ac10 1 0.50000000 0.36442388 0.00000000 1.0 Ac Ac11 1 0.00000000 0.63557612 0.50000000 1.0 Si Si12 1 0.00000000 0.16877018 0.00000000 1.0 Si Si13 1 0.50000000 0.83122982 0.50000000 1.0 Si Si14 1 0.50000000 0.55807931 0.87688577 1.0 Si Si15 1 0.00000000 0.44192069 0.62311423 1.0 Si Si16 1 0.50000000 0.55807931 0.12311423 1.0 Si Si17 1 0.00000000 0.44192069 0.37688577 1.0 Si Si18 1 0.00000000 0.26578198 0.87856518 1.0 Si Si19 1 0.50000000 0.73421802 0.62143482 1.0 Si Si20 1 0.00000000 0.26578198 0.12143482 1.0 Si Si21 1 0.50000000 0.73421802 0.37856518 1.0 Si Si22 1 0.00000000 0.45867747 0.87540070 1.0 Si Si23 1 0.50000000 0.54132253 0.62459930 1.0 Si Si24 1 0.50000000 0.54132253 0.37540070 1.0 Si Si25 1 0.00000000 0.45867747 0.12459930 1.0 I I26 1 0.50000000 0.11076458 0.69000880 1.0 I I27 1 0.00000000 0.88923542 0.80999120 1.0 I I28 1 0.00000000 0.13638155 0.50000000 1.0 I I29 1 0.50000000 0.86361845 0.00000000 1.0 I I30 1 0.50000000 0.11076458 0.30999120 1.0 I I31 1 0.00000000 0.88923542 0.19000880 1.0