# generated using pymatgen data_Sc5Si12Tc2Ir17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.64764753 _cell_length_b 12.64764787 _cell_length_c 3.93262532 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.21295567 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Si12Tc2Ir17 _chemical_formula_sum 'Sc5 Si12 Tc2 Ir17' _cell_volume 543.62168434 _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 Sc Sc0 1 0.32958510 0.66875647 0.00000000 1.0 Sc Sc1 1 0.66875647 0.32958510 0.00000000 1.0 Sc Sc2 1 0.81365622 0.00119688 0.50000000 1.0 Sc Sc3 1 0.00119688 0.81365622 0.50000000 1.0 Sc Sc4 1 0.18569512 0.18569512 0.50000000 1.0 Si Si5 1 0.17959580 0.00238378 0.00000000 1.0 Si Si6 1 0.00238378 0.17959580 0.00000000 1.0 Si Si7 1 0.81929334 0.81929334 0.00000000 1.0 Si Si8 1 0.16861194 0.48224473 0.50000000 1.0 Si Si9 1 0.51830733 0.68972381 0.50000000 1.0 Si Si10 1 0.31189210 0.83415964 0.50000000 1.0 Si Si11 1 0.68972381 0.51830733 0.50000000 1.0 Si Si12 1 0.83415964 0.31189210 0.50000000 1.0 Si Si13 1 0.48224473 0.16861194 0.50000000 1.0 Si Si14 1 0.62798180 0.99919985 0.00000000 1.0 Si Si15 1 0.99919985 0.62798180 0.00000000 1.0 Si Si16 1 0.36813967 0.36813967 0.00000000 1.0 Tc Tc17 1 0.44066512 0.00058955 0.00000000 1.0 Tc Tc18 1 0.00058955 0.44066512 0.00000000 1.0 Ir Ir19 1 0.55462574 0.55462574 0.00000000 1.0 Ir Ir20 1 0.36236008 0.48958165 0.50000000 1.0 Ir Ir21 1 0.51002885 0.87258738 0.50000000 1.0 Ir Ir22 1 0.12763547 0.63989904 0.50000000 1.0 Ir Ir23 1 0.87258738 0.51002885 0.50000000 1.0 Ir Ir24 1 0.63989904 0.12763547 0.50000000 1.0 Ir Ir25 1 0.48958165 0.36236008 0.50000000 1.0 Ir Ir26 1 0.18456117 0.37694059 0.00000000 1.0 Ir Ir27 1 0.62510369 0.80812249 0.00000000 1.0 Ir Ir28 1 0.18991284 0.81871541 0.00000000 1.0 Ir Ir29 1 0.80812249 0.62510369 0.00000000 1.0 Ir Ir30 1 0.81871541 0.18991284 0.00000000 1.0 Ir Ir31 1 0.37694059 0.18456117 0.00000000 1.0 Ir Ir32 1 0.27838574 0.00228716 0.50000000 1.0 Ir Ir33 1 0.00228716 0.27838574 0.50000000 1.0 Ir Ir34 1 0.71872442 0.71872442 0.50000000 1.0 Ir Ir35 1 0.99884803 0.99884803 0.00000000 1.0