# generated using pymatgen data_Sm2(Ga3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53738553 _cell_length_b 7.53738593 _cell_length_c 9.53524239 _cell_angle_alpha 90.00030669 _cell_angle_beta 90.00030257 _cell_angle_gamma 119.75825073 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2(Ga3Ir)3 _chemical_formula_sum 'Sm4 Ga18 Ir6' _cell_volume 470.28016101 _cell_formula_units_Z 2 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 0.99807173 0.66920663 0.25000523 1.0 Sm Sm1 1 0.00192840 0.33079258 0.74999432 1.0 Sm Sm2 1 0.66920687 0.99807206 0.25000504 1.0 Sm Sm3 1 0.33079212 0.00192831 0.74999434 1.0 Ga Ga4 1 0.13115440 0.13115435 0.25005444 1.0 Ga Ga5 1 0.86884581 0.86884589 0.74994586 1.0 Ga Ga6 1 0.00217906 0.33447217 0.07727987 1.0 Ga Ga7 1 0.99781751 0.66552411 0.92272077 1.0 Ga Ga8 1 0.99785595 0.66551243 0.57718702 1.0 Ga Ga9 1 0.33448792 0.00214433 0.42281177 1.0 Ga Ga10 1 0.00214439 0.33448799 0.42281180 1.0 Ga Ga11 1 0.66551230 0.99785594 0.57718699 1.0 Ga Ga12 1 0.66552402 0.99781746 0.92272067 1.0 Ga Ga13 1 0.33447212 0.00217887 0.07727991 1.0 Ga Ga14 1 0.33452744 0.33452752 0.56393287 1.0 Ga Ga15 1 0.66547332 0.66547342 0.43606543 1.0 Ga Ga16 1 0.66543433 0.66543442 0.06403647 1.0 Ga Ga17 1 0.33456692 0.33456701 0.93596896 1.0 Ga Ga18 1 0.33826170 0.54348452 0.25005140 1.0 Ga Ga19 1 0.66174229 0.45652005 0.74994807 1.0 Ga Ga20 1 0.54348433 0.33826179 0.25005136 1.0 Ga Ga21 1 0.45652024 0.66174236 0.74994807 1.0 Ir Ir22 1 0.67093102 0.32906574 -0.00000034 1.0 Ir Ir23 1 0.32906582 0.67093099 -0.00000033 1.0 Ir Ir24 1 0.32905516 0.67094570 0.49999934 1.0 Ir Ir25 1 0.67094560 0.32905506 0.49999938 1.0 Ir Ir26 1 -0.00000106 -0.00000103 0.00000055 1.0 Ir Ir27 1 0.00000029 0.00000034 0.49999972 1.0