# generated using pymatgen data_Sc5Mn3(Si3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.72048645 _cell_length_b 12.72048674 _cell_length_c 3.90726726 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000180 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5Mn3(Si3Ir4)4 _chemical_formula_sum 'Sc5 Mn3 Si12 Ir16' _cell_volume 547.53412395 _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 0.33333300 0.66666700 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.00000000 1.0 Sc Sc2 1 0.81643091 0.00000000 0.50000000 1.0 Sc Sc3 1 0.00000000 0.81643091 0.50000000 1.0 Sc Sc4 1 0.18356909 0.18356909 0.50000000 1.0 Mn Mn5 1 0.44178888 1.00000000 0.00000000 1.0 Mn Mn6 1 1.00000000 0.44178888 0.00000000 1.0 Mn Mn7 1 0.55821112 0.55821112 0.00000000 1.0 Si Si8 1 0.18036706 0.00000000 0.00000000 1.0 Si Si9 1 0.00000000 0.18036706 0.00000000 1.0 Si Si10 1 0.81963294 0.81963294 0.00000000 1.0 Si Si11 1 0.17580018 0.48305896 0.50000000 1.0 Si Si12 1 0.51694104 0.69274022 0.50000000 1.0 Si Si13 1 0.30725978 0.82419982 0.50000000 1.0 Si Si14 1 0.69274022 0.51694104 0.50000000 1.0 Si Si15 1 0.82419982 0.30725978 0.50000000 1.0 Si Si16 1 0.48305896 0.17580018 0.50000000 1.0 Si Si17 1 0.63557316 0.00000000 0.00000000 1.0 Si Si18 1 0.00000000 0.63557316 0.00000000 1.0 Si Si19 1 0.36442684 0.36442684 0.00000000 1.0 Ir Ir20 1 0.36604580 0.49075393 0.50000000 1.0 Ir Ir21 1 0.50924607 0.87529287 0.50000000 1.0 Ir Ir22 1 0.12470713 0.63395420 0.50000000 1.0 Ir Ir23 1 0.87529287 0.50924607 0.50000000 1.0 Ir Ir24 1 0.63395420 0.12470713 0.50000000 1.0 Ir Ir25 1 0.49075393 0.36604580 0.50000000 1.0 Ir Ir26 1 0.18239371 0.37448269 0.00000000 1.0 Ir Ir27 1 0.62551731 0.80791202 0.00000000 1.0 Ir Ir28 1 0.19208798 0.81760629 0.00000000 1.0 Ir Ir29 1 0.80791202 0.62551731 0.00000000 1.0 Ir Ir30 1 0.81760629 0.19208798 0.00000000 1.0 Ir Ir31 1 0.37448269 0.18239371 0.00000000 1.0 Ir Ir32 1 0.28085713 1.00000000 0.50000000 1.0 Ir Ir33 1 1.00000000 0.28085713 0.50000000 1.0 Ir Ir34 1 0.71914287 0.71914287 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.00000000 1.0