# generated using pymatgen data_CaPr4Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.85140671 _cell_length_b 12.84917273 _cell_length_c 4.01823700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00575904 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPr4Si12Ir19 _chemical_formula_sum 'Ca1 Pr4 Si12 Ir19' _cell_volume 574.60157212 _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 Ca Ca0 1 0.18645997 0.00000000 0.50000000 1.0 Pr Pr1 1 0.00066434 0.18433469 0.50000000 1.0 Pr Pr2 1 0.81632965 0.81566531 0.50000000 1.0 Pr Pr3 1 0.66701649 0.33449608 0.00000000 1.0 Pr Pr4 1 0.33251941 0.66550392 0.00000000 1.0 Si Si5 1 0.47763813 0.30978902 0.50000000 1.0 Si Si6 1 0.81483423 1.00000000 0.00000000 1.0 Si Si7 1 0.18529867 0.18149805 0.00000000 1.0 Si Si8 1 0.00379962 0.81850195 0.00000000 1.0 Si Si9 1 0.36940252 0.00000000 0.00000000 1.0 Si Si10 1 0.68871617 0.16785876 0.50000000 1.0 Si Si11 1 0.83392476 0.52328766 0.50000000 1.0 Si Si12 1 0.52085841 0.83214124 0.50000000 1.0 Si Si13 1 0.16785011 0.69021098 0.50000000 1.0 Si Si14 1 0.31063810 0.47671234 0.50000000 1.0 Si Si15 1 0.99993608 0.37103305 0.00000000 1.0 Si Si16 1 0.62890302 0.62896695 0.00000000 1.0 Ir Ir17 1 0.80411831 0.18286412 0.00000000 1.0 Ir Ir18 1 0.37874684 0.19438429 0.00000000 1.0 Ir Ir19 1 0.63731642 0.51232087 0.50000000 1.0 Ir Ir20 1 0.87469740 0.36263957 0.50000000 1.0 Ir Ir21 1 0.36270083 0.87540392 0.50000000 1.0 Ir Ir22 1 0.51205783 0.63736043 0.50000000 1.0 Ir Ir23 1 0.12499456 0.48767913 0.50000000 1.0 Ir Ir24 1 0.81787193 0.62303387 0.00000000 1.0 Ir Ir25 1 0.62125518 0.81713588 0.00000000 1.0 Ir Ir26 1 0.18436255 0.80561571 0.00000000 1.0 Ir Ir27 1 0.19483906 0.37696613 0.00000000 1.0 Ir Ir28 1 0.00086335 0.71753714 0.50000000 1.0 Ir Ir29 1 0.28332721 0.28246286 0.50000000 1.0 Ir Ir30 1 0.71481690 1.00000000 0.50000000 1.0 Ir Ir31 1 0.99841952 0.55243674 0.00000000 1.0 Ir Ir32 1 0.44598278 0.44756326 0.00000000 1.0 Ir Ir33 1 0.55265581 1.00000000 0.00000000 1.0 Ir Ir34 1 0.99888594 1.00000000 0.00000000 1.0 Ir Ir35 1 0.48729790 0.12459608 0.50000000 1.0