# generated using pymatgen data_Mn6Zn5SiIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24386511 _cell_length_b 6.02129527 _cell_length_c 12.73260745 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99773853 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn6Zn5SiIr12 _chemical_formula_sum 'Mn6 Zn5 Si1 Ir12' _cell_volume 325.36351061 _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 Mn Mn0 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn1 1 0.49994021 0.00000000 0.17164381 1.0 Mn Mn2 1 0.99988161 0.50000000 0.33205764 1.0 Mn Mn3 1 0.50000100 0.00000000 0.50000000 1.0 Mn Mn4 1 0.00011739 0.50000000 0.66794136 1.0 Mn Mn5 1 0.50005879 0.00000000 0.82835619 1.0 Zn Zn6 1 0.49995605 0.50000000 0.16441906 1.0 Zn Zn7 1 0.99988864 0.00000000 0.33282480 1.0 Zn Zn8 1 0.50000100 0.50000000 0.50000000 1.0 Zn Zn9 1 0.00011036 0.00000000 0.66717520 1.0 Zn Zn10 1 0.50004495 0.50000000 0.83558094 1.0 Si Si11 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir12 1 0.50000100 0.23559968 0.00000000 1.0 Ir Ir13 1 0.50000100 0.76440032 0.00000000 1.0 Ir Ir14 1 0.99994211 0.24286458 0.16141291 1.0 Ir Ir15 1 0.99994211 0.75713542 0.16141291 1.0 Ir Ir16 1 0.49987435 0.25217117 0.33308290 1.0 Ir Ir17 1 0.49987435 0.74782883 0.33308290 1.0 Ir Ir18 1 0.00000000 0.24993759 0.50000000 1.0 Ir Ir19 1 0.00000000 0.75006241 0.50000000 1.0 Ir Ir20 1 0.50012465 0.25217117 0.66691710 1.0 Ir Ir21 1 0.50012465 0.74782883 0.66691710 1.0 Ir Ir22 1 0.00005689 0.24286458 0.83858709 1.0 Ir Ir23 1 0.00005689 0.75713542 0.83858709 1.0