# generated using pymatgen data_Sc22Ga2Tc5Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62568331 _cell_length_b 9.48888777 _cell_length_c 9.62568106 _cell_angle_alpha 60.46899545 _cell_angle_beta 59.06198798 _cell_angle_gamma 60.46899832 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Ga2Tc5Ru _chemical_formula_sum 'Sc22 Ga2 Tc5 Ru1' _cell_volume 621.42723517 _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 0.80465217 0.80465217 0.19534783 1.0 Sc Sc1 1 0.19466119 0.80533881 0.19466119 1.0 Sc Sc2 1 0.80465217 0.19534783 0.19534783 1.0 Sc Sc3 1 0.19534783 0.19534783 0.80465217 1.0 Sc Sc4 1 0.80533881 0.19466119 0.80533881 1.0 Sc Sc5 1 0.19534783 0.80465217 0.80465217 1.0 Sc Sc6 1 0.60825356 0.61970933 0.15232979 1.0 Sc Sc7 1 0.61970933 0.15232979 0.61970933 1.0 Sc Sc8 1 0.15232979 0.61970933 0.60825356 1.0 Sc Sc9 1 0.61970933 0.60825356 0.61970933 1.0 Sc Sc10 1 0.39174644 0.38029067 0.84767021 1.0 Sc Sc11 1 0.38029067 0.84767021 0.38029067 1.0 Sc Sc12 1 0.84767021 0.38029067 0.39174644 1.0 Sc Sc13 1 0.38029067 0.39174644 0.38029067 1.0 Sc Sc14 1 0.85347501 0.83753156 0.47145988 1.0 Sc Sc15 1 0.83753156 0.47145988 0.83753156 1.0 Sc Sc16 1 0.47145988 0.83753156 0.85347501 1.0 Sc Sc17 1 0.83753156 0.85347501 0.83753156 1.0 Sc Sc18 1 0.14652499 0.16246844 0.52854012 1.0 Sc Sc19 1 0.16246844 0.52854012 0.16246844 1.0 Sc Sc20 1 0.52854012 0.16246844 0.14652499 1.0 Sc Sc21 1 0.16246844 0.14652499 0.16246844 1.0 Ga Ga22 1 0.50000000 0.00000000 0.50000000 1.0 Ga Ga23 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc24 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc25 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc26 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc27 1 0.50000000 0.50000000 0.00000000 1.0 Tc Tc28 1 0.50000000 0.00000000 0.00000000 1.0 Ru Ru29 1 0.50000000 0.50000000 0.50000000 1.0