# generated using pymatgen data_Mn5Ga6FeIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28063506 _cell_length_b 6.04602531 _cell_length_c 12.84424750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00209309 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5Ga6FeIr12 _chemical_formula_sum 'Mn5 Ga6 Fe1 Ir12' _cell_volume 332.41975929 _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 0.00000294 0.00000000 0.99957106 1.0 Mn Mn1 1 0.49989768 0.49999900 0.16640078 1.0 Mn Mn2 1 0.99978190 0.00000000 0.33342456 1.0 Mn Mn3 1 0.49993575 0.49999900 0.50027877 1.0 Mn Mn4 1 0.00016542 0.00000000 0.66704584 1.0 Ga Ga5 1 0.00001717 0.49999900 0.00212499 1.0 Ga Ga6 1 0.49993048 0.00000000 0.16566435 1.0 Ga Ga7 1 0.99984200 0.49999900 0.33334314 1.0 Ga Ga8 1 0.49992905 0.00000000 0.50102365 1.0 Ga Ga9 1 0.00015835 0.49999900 0.66467324 1.0 Ga Ga10 1 0.50012867 0.00000000 0.83332098 1.0 Fe Fe11 1 0.50019375 0.49999900 0.83319796 1.0 Ir Ir12 1 0.50003069 0.25210170 0.99784760 1.0 Ir Ir13 1 0.50003069 0.74789830 0.99784760 1.0 Ir Ir14 1 0.99990873 0.24931826 0.16677881 1.0 Ir Ir15 1 0.99990873 0.75068174 0.16677881 1.0 Ir Ir16 1 0.49980406 0.24973083 0.33333070 1.0 Ir Ir17 1 0.49980406 0.75026817 0.33333070 1.0 Ir Ir18 1 0.99994990 0.24936556 0.49991876 1.0 Ir Ir19 1 0.99994990 0.75063344 0.49991876 1.0 Ir Ir20 1 0.50015383 0.25202222 0.66874616 1.0 Ir Ir21 1 0.50015383 0.74797678 0.66874616 1.0 Ir Ir22 1 0.00016371 0.25500235 0.83334380 1.0 Ir Ir23 1 0.00016371 0.74499765 0.83334380 1.0