# generated using pymatgen data_Ac3Th(AgAs2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17227744 _cell_length_b 4.20814067 _cell_length_c 21.73426668 _cell_angle_alpha 89.15836729 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ac3Th(AgAs2)4 _chemical_formula_sum 'Ac3 Th1 Ag4 As8' _cell_volume 381.55887818 _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 Ac Ac0 1 0.75000000 0.23748793 0.10880691 1.0 Ac Ac1 1 0.25000000 0.72048892 0.38173964 1.0 Ac Ac2 1 0.75000000 0.27891856 0.61970562 1.0 Th Th3 1 0.25000000 0.76261697 0.88827495 1.0 Ag Ag4 1 0.25000000 0.22617749 0.24545119 1.0 Ag Ag5 1 0.75000000 0.72728332 0.24569677 1.0 Ag Ag6 1 0.25000000 0.27189834 0.75681741 1.0 Ag Ag7 1 0.75000000 0.77293666 0.75690451 1.0 As As8 1 0.25000000 0.73266355 0.16282875 1.0 As As9 1 0.75000000 0.22343292 0.32903884 1.0 As As10 1 0.25000000 0.77601945 0.67495942 1.0 As As11 1 0.75000000 0.26579824 0.84365557 1.0 As As12 1 0.75000000 0.75005551 0.99141987 1.0 As As13 1 0.25000000 0.18634349 0.49964650 1.0 As As14 1 0.75000000 0.81333482 0.50403991 1.0 As As15 1 0.25000000 0.25454484 0.99101215 1.0