# generated using pymatgen data_Sc20GaTc5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.86495232 _cell_length_b 8.84399397 _cell_length_c 8.17700105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.07841906 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc20GaTc5 _chemical_formula_sum 'Sc20 Ga1 Tc5' _cell_volume 554.76084844 _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 Sc Sc0 1 0.99763424 0.99526848 0.98583472 1.0 Sc Sc1 1 0.40408634 0.20011028 0.04745993 1.0 Sc Sc2 1 0.79602494 0.20011028 0.04745993 1.0 Sc Sc3 1 0.79604689 0.59209479 0.05373560 1.0 Sc Sc4 1 0.09556195 0.55546745 0.25000000 1.0 Sc Sc5 1 0.45990550 0.55546745 0.25000000 1.0 Sc Sc6 1 0.45486985 0.90974069 0.25000000 1.0 Sc Sc7 1 0.40408634 0.20011028 0.45254007 1.0 Sc Sc8 1 0.79602494 0.20011028 0.45254007 1.0 Sc Sc9 1 0.79604689 0.59209479 0.44626440 1.0 Sc Sc10 1 0.99763424 0.99526848 0.51416528 1.0 Sc Sc11 1 0.20392434 0.40784868 0.56536257 1.0 Sc Sc12 1 0.20188343 0.79419655 0.55157972 1.0 Sc Sc13 1 0.59231312 0.79419655 0.55157972 1.0 Sc Sc14 1 0.54650822 0.09301744 0.75000100 1.0 Sc Sc15 1 0.54989481 0.45287007 0.75000100 1.0 Sc Sc16 1 0.90297626 0.45287007 0.75000100 1.0 Sc Sc17 1 0.20392434 0.40784868 0.93463743 1.0 Sc Sc18 1 0.20188343 0.79419655 0.94842028 1.0 Sc Sc19 1 0.59231312 0.79419655 0.94842028 1.0 Ga Ga20 1 0.11395745 0.22791589 0.25000000 1.0 Tc Tc21 1 0.11727871 0.88588533 0.25000000 1.0 Tc Tc22 1 0.76860662 0.88588533 0.25000000 1.0 Tc Tc23 1 0.24068196 0.12830945 0.75000100 1.0 Tc Tc24 1 0.88762649 0.12830945 0.75000100 1.0 Tc Tc25 1 0.87830258 0.75660716 0.75000100 1.0