# generated using pymatgen data_Sc3Ga5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72309481 _cell_length_b 9.20669413 _cell_length_c 10.97986341 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99955650 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc3Ga5 _chemical_formula_sum 'Sc12 Ga20' _cell_volume 578.53760461 _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 Sc Sc0 1 0.65119368 0.75000000 0.43129677 1.0 Sc Sc1 1 0.84881456 0.75000000 0.93129222 1.0 Sc Sc2 1 0.34880732 0.25000000 0.56870323 1.0 Sc Sc3 1 0.15118544 0.25000000 0.06870678 1.0 Sc Sc4 1 0.60830564 0.99454891 0.14652512 1.0 Sc Sc5 1 0.89166454 0.50545421 0.64650498 1.0 Sc Sc6 1 0.39169236 0.49454891 0.85347488 1.0 Sc Sc7 1 0.10833446 0.00545421 0.35349302 1.0 Sc Sc8 1 0.39169236 0.00545109 0.85347488 1.0 Sc Sc9 1 0.10833446 0.49454579 0.35349302 1.0 Sc Sc10 1 0.60830564 0.50545109 0.14652512 1.0 Sc Sc11 1 0.89166454 0.99454579 0.64650598 1.0 Ga Ga12 1 0.62305435 0.44937252 0.40600437 1.0 Ga Ga13 1 0.87695292 0.05062320 0.90600243 1.0 Ga Ga14 1 0.37694665 0.94937152 0.59399863 1.0 Ga Ga15 1 0.12304508 0.55062420 0.09399357 1.0 Ga Ga16 1 0.37694765 0.55062848 0.59399863 1.0 Ga Ga17 1 0.12304508 0.94937580 0.09399457 1.0 Ga Ga18 1 0.62305435 0.05062848 0.40600537 1.0 Ga Ga19 1 0.87695292 0.44937680 0.90600243 1.0 Ga Ga20 1 0.33854049 0.75000000 0.24938299 1.0 Ga Ga21 1 0.16144878 0.75000000 0.74937549 1.0 Ga Ga22 1 0.66145851 0.25000000 0.75061701 1.0 Ga Ga23 1 0.83855022 0.25000000 0.25062451 1.0 Ga Ga24 1 0.11883154 0.75000000 0.49498930 1.0 Ga Ga25 1 0.38123046 0.75000000 0.99499451 1.0 Ga Ga26 1 0.88117046 0.25000000 0.50501270 1.0 Ga Ga27 1 0.61876954 0.25000000 0.00500249 1.0 Ga Ga28 1 0.87886357 0.75000000 0.20524342 1.0 Ga Ga29 1 0.62110656 0.75000000 0.70527303 1.0 Ga Ga30 1 0.12113643 0.25000000 0.79475358 1.0 Ga Ga31 1 0.37889544 0.25000000 0.29472997 1.0