# generated using pymatgen data_Pr8Si13Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22778554 _cell_length_b 8.22778724 _cell_length_c 8.64073942 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000113 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr8Si13Ir3 _chemical_formula_sum 'Pr8 Si13 Ir3' _cell_volume 506.57942962 _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 Pr Pr0 1 0.49959721 0.50040279 0.75158082 1.0 Pr Pr1 1 0.49967209 0.50032791 0.24844768 1.0 Pr Pr2 1 0.00080557 0.50040279 0.75158082 1.0 Pr Pr3 1 0.00065783 0.50032791 0.24844768 1.0 Pr Pr4 1 0.49959721 0.99919443 0.75158082 1.0 Pr Pr5 1 0.49967209 0.99934217 0.24844768 1.0 Pr Pr6 1 0.00000000 0.00000000 0.74877391 1.0 Pr Pr7 1 0.00000000 0.00000000 0.25116456 1.0 Si Si8 1 0.83212537 0.16787463 0.99994360 1.0 Si Si9 1 0.16807408 0.83192592 0.00005665 1.0 Si Si10 1 0.33574726 0.16787463 0.99994360 1.0 Si Si11 1 0.16887478 0.83112522 0.50005777 1.0 Si Si12 1 0.66385085 0.83192592 0.00005665 1.0 Si Si13 1 0.83689141 0.16310859 0.49988797 1.0 Si Si14 1 0.83212537 0.66425274 0.99994360 1.0 Si Si15 1 0.66225044 0.83112522 0.50005777 1.0 Si Si16 1 0.16807408 0.33614915 0.00005665 1.0 Si Si17 1 0.32621618 0.16310859 0.49988797 1.0 Si Si18 1 0.16887478 0.33774956 0.50005777 1.0 Si Si19 1 0.83689141 0.67378382 0.49988797 1.0 Si Si20 1 0.66666700 0.33333300 0.50017562 1.0 Ir Ir21 1 0.66666700 0.33333300 0.99983825 1.0 Ir Ir22 1 0.33333300 0.66666700 0.00015940 1.0 Ir Ir23 1 0.33333300 0.66666700 0.49995978 1.0