# generated using pymatgen data_CaMg4Si12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.64953262 _cell_length_b 12.64953347 _cell_length_c 3.94973734 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000547 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaMg4Si12Ir19 _chemical_formula_sum 'Ca1 Mg4 Si12 Ir19' _cell_volume 547.32818349 _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 0.33333300 0.66666700 0.00000000 1.0 Mg Mg1 1 0.00422611 0.17629835 0.50000000 1.0 Mg Mg2 1 0.82370165 0.82792777 0.50000000 1.0 Mg Mg3 1 0.17207223 0.99577389 0.50000000 1.0 Mg Mg4 1 0.66666700 0.33333300 0.00000000 1.0 Si Si5 1 0.48014685 0.31151805 0.50000000 1.0 Si Si6 1 0.82279447 0.00432071 0.00000000 1.0 Si Si7 1 0.18152625 0.17720553 0.00000000 1.0 Si Si8 1 0.99567929 0.81847375 0.00000000 1.0 Si Si9 1 0.36801087 0.99991851 0.00000000 1.0 Si Si10 1 0.68848195 0.16863079 0.50000000 1.0 Si Si11 1 0.83136921 0.51985315 0.50000000 1.0 Si Si12 1 0.52371240 0.83711658 0.50000000 1.0 Si Si13 1 0.16288342 0.68659583 0.50000000 1.0 Si Si14 1 0.31340417 0.47628760 0.50000000 1.0 Si Si15 1 0.00008149 0.36809235 0.00000000 1.0 Si Si16 1 0.63190765 0.63198913 0.00000000 1.0 Ir Ir17 1 0.80722612 0.18676235 0.00000000 1.0 Ir Ir18 1 0.37953423 0.19277388 0.00000000 1.0 Ir Ir19 1 0.63735584 0.50925484 0.50000000 1.0 Ir Ir20 1 0.87190000 0.36264416 0.50000000 1.0 Ir Ir21 1 0.35881764 0.87316311 0.50000000 1.0 Ir Ir22 1 0.51434547 0.64118236 0.50000000 1.0 Ir Ir23 1 0.12683689 0.48565453 0.50000000 1.0 Ir Ir24 1 0.81323765 0.62046577 0.00000000 1.0 Ir Ir25 1 0.62911054 0.81783986 0.00000000 1.0 Ir Ir26 1 0.18216014 0.81127069 0.00000000 1.0 Ir Ir27 1 0.18872931 0.37088946 0.00000000 1.0 Ir Ir28 1 0.99693360 0.72077813 0.50000000 1.0 Ir Ir29 1 0.27922187 0.27615446 0.50000000 1.0 Ir Ir30 1 0.72384554 0.00306640 0.50000000 1.0 Ir Ir31 1 0.00392359 0.55527158 0.00000000 1.0 Ir Ir32 1 0.44472842 0.44865300 0.00000000 1.0 Ir Ir33 1 0.55134700 0.99607641 0.00000000 1.0 Ir Ir34 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir35 1 0.49074516 0.12810000 0.50000000 1.0