# generated using pymatgen data_Sm2Mn6P7Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49701947 _cell_length_b 9.49702012 _cell_length_c 3.95579902 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000743 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Mn6P7Ir6 _chemical_formula_sum 'Sm2 Mn6 P7 Ir6' _cell_volume 308.98649951 _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 Sm Sm0 1 0.66666700 0.33333300 0.00000000 1.0 Sm Sm1 1 0.33333300 0.66666700 0.50000000 1.0 Mn Mn2 1 0.16343901 0.27656074 0.50000000 1.0 Mn Mn3 1 0.72343926 0.88687827 0.50000000 1.0 Mn Mn4 1 0.11312173 0.83656099 0.50000000 1.0 Mn Mn5 1 0.22731206 0.10074357 0.00000000 1.0 Mn Mn6 1 0.89925643 0.12656749 0.00000000 1.0 Mn Mn7 1 0.87343251 0.77268794 0.00000000 1.0 P P8 1 0.11940503 0.40943703 0.00000000 1.0 P P9 1 0.59056297 0.70996700 0.00000000 1.0 P P10 1 0.29003300 0.88059497 0.00000000 1.0 P P11 1 0.00000000 0.00000000 0.50000000 1.0 P P12 1 0.41562842 0.30236397 0.50000000 1.0 P P13 1 0.69763603 0.11326445 0.50000000 1.0 P P14 1 0.88673555 0.58437158 0.50000000 1.0 Ir Ir15 1 0.42405722 0.06053503 0.50000000 1.0 Ir Ir16 1 0.93946497 0.36352319 0.50000000 1.0 Ir Ir17 1 0.63647681 0.57594278 0.50000000 1.0 Ir Ir18 1 0.38114044 0.43594499 0.00000000 1.0 Ir Ir19 1 0.56405501 0.94519645 0.00000000 1.0 Ir Ir20 1 0.05480355 0.61885956 0.00000000 1.0