# generated using pymatgen data_Lu2Sc3(GaSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07760505 _cell_length_b 7.34072428 _cell_length_c 14.12658727 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Sc3(GaSi)2 _chemical_formula_sum 'Lu8 Sc12 Ga8 Si8' _cell_volume 733.94327139 _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 Lu Lu0 1 0.00924537 0.17753642 0.09857048 1.0 Lu Lu1 1 0.99075463 0.82246358 0.90142952 1.0 Lu Lu2 1 0.49075463 0.67753642 0.90142952 1.0 Lu Lu3 1 0.99075463 0.82246358 0.59857048 1.0 Lu Lu4 1 0.50924537 0.32246358 0.09857048 1.0 Lu Lu5 1 0.00924537 0.17753642 0.40142952 1.0 Lu Lu6 1 0.50924537 0.32246358 0.40142952 1.0 Lu Lu7 1 0.49075463 0.67753642 0.59857048 1.0 Sc Sc8 1 0.16509839 0.50217049 0.75000000 1.0 Sc Sc9 1 0.83490161 0.49782951 0.25000000 1.0 Sc Sc10 1 0.33490161 0.00217049 0.25000000 1.0 Sc Sc11 1 0.66509839 0.99782951 0.75000000 1.0 Sc Sc12 1 0.33257085 0.17429456 0.62498606 1.0 Sc Sc13 1 0.66742915 0.82570544 0.37501394 1.0 Sc Sc14 1 0.16742915 0.67429456 0.37501394 1.0 Sc Sc15 1 0.66742915 0.82570544 0.12498606 1.0 Sc Sc16 1 0.83257085 0.32570544 0.62498606 1.0 Sc Sc17 1 0.33257085 0.17429456 0.87501394 1.0 Sc Sc18 1 0.83257085 0.32570544 0.87501394 1.0 Sc Sc19 1 0.16742915 0.67429456 0.12498606 1.0 Ga Ga20 1 0.16312230 0.46440362 0.53897753 1.0 Ga Ga21 1 0.83687770 0.53559638 0.46102247 1.0 Ga Ga22 1 0.33687770 0.96440362 0.46102247 1.0 Ga Ga23 1 0.83687770 0.53559638 0.03897753 1.0 Ga Ga24 1 0.66312230 0.03559638 0.53897753 1.0 Ga Ga25 1 0.16312230 0.46440362 0.96102247 1.0 Ga Ga26 1 0.66312230 0.03559638 0.96102247 1.0 Ga Ga27 1 0.33687770 0.96440362 0.03897753 1.0 Si Si28 1 0.03593314 0.10925601 0.75000000 1.0 Si Si29 1 0.96406686 0.89074399 0.25000000 1.0 Si Si30 1 0.46406686 0.60925601 0.25000000 1.0 Si Si31 1 0.53593314 0.39074399 0.75000000 1.0 Si Si32 1 0.28606982 0.87090305 0.75000000 1.0 Si Si33 1 0.71393018 0.12909695 0.25000000 1.0 Si Si34 1 0.21393018 0.37090305 0.25000000 1.0 Si Si35 1 0.78606982 0.62909695 0.75000000 1.0