# generated using pymatgen data_Mn3SiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37611700 _cell_length_b 6.37611700 _cell_length_c 6.37611700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn3SiIr _chemical_formula_sum 'Mn12 Si4 Ir4' _cell_volume 259.22019497 _cell_formula_units_Z 4 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 0.54762800 0.62993400 0.28846900 1.0 Mn Mn1 1 0.78846900 0.95237200 0.37006600 1.0 Mn Mn2 1 0.04762800 0.87006600 0.71153100 1.0 Mn Mn3 1 0.87006600 0.71153100 0.04762800 1.0 Mn Mn4 1 0.71153100 0.04762800 0.87006600 1.0 Mn Mn5 1 0.62993400 0.28846900 0.54762800 1.0 Mn Mn6 1 0.12993400 0.21153100 0.45237200 1.0 Mn Mn7 1 0.37006600 0.78846900 0.95237200 1.0 Mn Mn8 1 0.28846900 0.54762800 0.62993400 1.0 Mn Mn9 1 0.45237200 0.12993400 0.21153100 1.0 Mn Mn10 1 0.21153100 0.45237200 0.12993400 1.0 Mn Mn11 1 0.95237200 0.37006600 0.78846900 1.0 Si Si12 1 0.94032000 0.55968000 0.44032000 1.0 Si Si13 1 0.55968000 0.44032000 0.94032000 1.0 Si Si14 1 0.44032000 0.94032000 0.55968000 1.0 Si Si15 1 0.05968000 0.05968000 0.05968000 1.0 Ir Ir16 1 0.31468800 0.18531200 0.81468800 1.0 Ir Ir17 1 0.18531200 0.81468800 0.31468800 1.0 Ir Ir18 1 0.81468800 0.31468800 0.18531200 1.0 Ir Ir19 1 0.68531200 0.68531200 0.68531200 1.0