# generated using pymatgen data_Nd4ThSi12Ir19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.87541557 _cell_length_b 12.86057200 _cell_length_c 4.00727108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.96187144 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4ThSi12Ir19 _chemical_formula_sum 'Nd4 Th1 Si12 Ir19' _cell_volume 574.86732718 _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 Nd Nd0 1 0.18742391 0.18805986 0.50000000 1.0 Nd Nd1 1 0.81257609 0.00063596 0.50000000 1.0 Nd Nd2 1 0.33250582 0.66646293 0.00000000 1.0 Nd Nd3 1 0.66749418 0.33395611 0.00000000 1.0 Th Th4 1 0.00000000 0.81594299 0.50000000 1.0 Si Si5 1 0.00000000 0.18292430 0.00000000 1.0 Si Si6 1 0.81378053 0.81710499 0.00000000 1.0 Si Si7 1 0.18621947 0.00332445 0.00000000 1.0 Si Si8 1 0.52034377 0.68852416 0.50000000 1.0 Si Si9 1 0.31136581 0.83215589 0.50000000 1.0 Si Si10 1 0.16808350 0.47853190 0.50000000 1.0 Si Si11 1 0.47965623 0.16818039 0.50000000 1.0 Si Si12 1 0.68863419 0.52079008 0.50000000 1.0 Si Si13 1 0.83191650 0.31044840 0.50000000 1.0 Si Si14 1 1.00000000 0.62757387 0.00000000 1.0 Si Si15 1 0.37168626 0.37141989 0.00000000 1.0 Si Si16 1 0.62831374 0.99973364 0.00000000 1.0 Ir Ir17 1 0.00000000 0.28346146 0.50000000 1.0 Ir Ir18 1 0.71584894 0.71568790 0.50000000 1.0 Ir Ir19 1 0.28415106 0.99983896 0.50000000 1.0 Ir Ir20 1 0.62055643 0.80382600 0.00000000 1.0 Ir Ir21 1 0.19320465 0.81775562 0.00000000 1.0 Ir Ir22 1 0.18286852 0.37809451 0.00000000 1.0 Ir Ir23 1 0.37944357 0.18326957 0.00000000 1.0 Ir Ir24 1 0.80679535 0.62454996 0.00000000 1.0 Ir Ir25 1 0.81713148 0.19522599 0.00000000 1.0 Ir Ir26 1 0.51181057 0.87397648 0.50000000 1.0 Ir Ir27 1 0.12538389 0.63776603 0.50000000 1.0 Ir Ir28 1 0.36269682 0.48740013 0.50000000 1.0 Ir Ir29 1 0.48818943 0.36216491 0.50000000 1.0 Ir Ir30 1 0.87461611 0.51238114 0.50000000 1.0 Ir Ir31 1 0.63730318 0.12470231 0.50000000 1.0 Ir Ir32 1 1.00000000 0.99718105 0.00000000 1.0 Ir Ir33 1 0.00000000 0.44595631 0.00000000 1.0 Ir Ir34 1 0.55438986 0.55269136 0.00000000 1.0 Ir Ir35 1 0.44561014 0.99830050 0.00000000 1.0