# generated using pymatgen data_Ca2Ac3(Sn5Ir2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.21218811 _cell_length_b 14.21218811 _cell_length_c 4.77961020 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Ac3(Sn5Ir2)2 _chemical_formula_sum 'Ca4 Ac6 Sn20 Ir8' _cell_volume 965.41573703 _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 Ca Ca0 1 0.67286913 0.17286913 0.50000000 1.0 Ca Ca1 1 0.32713087 0.82713087 0.50000000 1.0 Ca Ca2 1 0.17286913 0.32713087 0.50000000 1.0 Ca Ca3 1 0.82713087 0.67286913 0.50000000 1.0 Ac Ac4 1 0.50000000 0.50000000 0.00000000 1.0 Ac Ac5 1 0.00000000 0.00000000 0.00000000 1.0 Ac Ac6 1 0.88851984 0.38851984 0.50000000 1.0 Ac Ac7 1 0.11148016 0.61148016 0.50000000 1.0 Ac Ac8 1 0.38851984 0.11148016 0.50000000 1.0 Ac Ac9 1 0.61148016 0.88851984 0.50000000 1.0 Sn Sn10 1 0.57299667 0.07299667 0.00000000 1.0 Sn Sn11 1 0.42700333 0.92700333 0.00000000 1.0 Sn Sn12 1 0.07299667 0.42700333 0.00000000 1.0 Sn Sn13 1 0.92700333 0.57299667 0.00000000 1.0 Sn Sn14 1 0.66182674 0.69341879 0.00000000 1.0 Sn Sn15 1 0.33817326 0.30658121 0.00000000 1.0 Sn Sn16 1 0.16182674 0.80658121 0.00000000 1.0 Sn Sn17 1 0.83817326 0.19341879 0.00000000 1.0 Sn Sn18 1 0.30658121 0.66182674 0.00000000 1.0 Sn Sn19 1 0.69341879 0.33817326 0.00000000 1.0 Sn Sn20 1 0.19341879 0.16182674 0.00000000 1.0 Sn Sn21 1 0.80658121 0.83817326 0.00000000 1.0 Sn Sn22 1 0.66556118 0.50699097 0.50000000 1.0 Sn Sn23 1 0.33443882 0.49300903 0.50000000 1.0 Sn Sn24 1 0.16556118 0.99300903 0.50000000 1.0 Sn Sn25 1 0.83443882 0.00699097 0.50000000 1.0 Sn Sn26 1 0.49300903 0.66556118 0.50000000 1.0 Sn Sn27 1 0.50699097 0.33443882 0.50000000 1.0 Sn Sn28 1 0.00699097 0.16556118 0.50000000 1.0 Sn Sn29 1 0.99300903 0.83443882 0.50000000 1.0 Ir Ir30 1 0.74527979 0.52004297 0.00000000 1.0 Ir Ir31 1 0.25472021 0.47995703 0.00000000 1.0 Ir Ir32 1 0.24527979 0.97995703 0.00000000 1.0 Ir Ir33 1 0.75472021 0.02004297 0.00000000 1.0 Ir Ir34 1 0.47995703 0.74527979 0.00000000 1.0 Ir Ir35 1 0.52004297 0.25472021 0.00000000 1.0 Ir Ir36 1 0.02004297 0.24527979 0.00000000 1.0 Ir Ir37 1 0.97995703 0.75472021 0.00000000 1.0