# generated using pymatgen data_Sc2Al7Ga2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38787238 _cell_length_b 7.40210004 _cell_length_c 9.34435210 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.66566497 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Al7Ga2Ir3 _chemical_formula_sum 'Sc4 Al14 Ga4 Ir6' _cell_volume 444.02503274 _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 Sc Sc0 1 0.00088897 0.67547835 0.25000000 1.0 Sc Sc1 1 0.99911103 0.32452165 0.75000000 1.0 Sc Sc2 1 0.67014744 0.99493665 0.25000000 1.0 Sc Sc3 1 0.32985256 0.00506335 0.75000000 1.0 Al Al4 1 0.00009018 0.33442406 0.07470312 1.0 Al Al5 1 0.99990982 0.66557594 0.92529688 1.0 Al Al6 1 0.99990982 0.66557594 0.57470312 1.0 Al Al7 1 0.33515576 0.00094849 0.42560885 1.0 Al Al8 1 0.00009018 0.33442406 0.42529688 1.0 Al Al9 1 0.66484424 0.99905151 0.57439115 1.0 Al Al10 1 0.66484424 0.99905151 0.92560885 1.0 Al Al11 1 0.33515576 0.00094849 0.07439115 1.0 Al Al12 1 0.33284699 0.33312417 0.56295581 1.0 Al Al13 1 0.66715301 0.66687583 0.43704419 1.0 Al Al14 1 0.66715301 0.66687583 0.06295581 1.0 Al Al15 1 0.33284699 0.33312417 0.93704419 1.0 Al Al16 1 0.55474330 0.33779668 0.25000000 1.0 Al Al17 1 0.44525670 0.66220332 0.75000000 1.0 Ga Ga18 1 0.12819644 0.12849931 0.25000000 1.0 Ga Ga19 1 0.87180356 0.87150069 0.75000000 1.0 Ga Ga20 1 0.33808872 0.54804099 0.25000000 1.0 Ga Ga21 1 0.66191128 0.45195901 0.75000000 1.0 Ir Ir22 1 0.67191864 0.32777016 0.00138916 1.0 Ir Ir23 1 0.32808136 0.67222984 0.99861084 1.0 Ir Ir24 1 0.32808136 0.67222984 0.50138916 1.0 Ir Ir25 1 0.67191864 0.32777016 0.49861084 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0