# generated using pymatgen data_Sc2Ga2Si2Tc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59573061 _cell_length_b 6.79102561 _cell_length_c 12.38051270 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Ga2Si2Tc3 _chemical_formula_sum 'Sc8 Ga8 Si8 Tc12' _cell_volume 554.54514538 _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 0.49257844 0.33073149 0.08979848 1.0 Sc Sc1 1 0.99257844 0.16926851 0.41020152 1.0 Sc Sc2 1 0.50742156 0.66926851 0.58979848 1.0 Sc Sc3 1 0.00742156 0.83073149 0.91020152 1.0 Sc Sc4 1 0.50742156 0.66926851 0.91020152 1.0 Sc Sc5 1 0.00742156 0.83073149 0.58979848 1.0 Sc Sc6 1 0.49257844 0.33073149 0.41020152 1.0 Sc Sc7 1 0.99257844 0.16926851 0.08979848 1.0 Ga Ga8 1 0.52222873 0.36763893 0.75000000 1.0 Ga Ga9 1 0.02222873 0.13236107 0.75000000 1.0 Ga Ga10 1 0.47777127 0.63236107 0.25000000 1.0 Ga Ga11 1 0.97777127 0.86763893 0.25000000 1.0 Ga Ga12 1 0.80371174 0.64727717 0.75000000 1.0 Ga Ga13 1 0.30371174 0.85272283 0.75000000 1.0 Ga Ga14 1 0.19628826 0.35272283 0.25000000 1.0 Ga Ga15 1 0.69628826 0.14727717 0.25000000 1.0 Si Si16 1 0.65955330 0.04521101 0.54980418 1.0 Si Si17 1 0.15955330 0.45478899 0.95019582 1.0 Si Si18 1 0.34044670 0.95478899 0.04980418 1.0 Si Si19 1 0.84044670 0.54521101 0.45019582 1.0 Si Si20 1 0.34044670 0.95478899 0.45019582 1.0 Si Si21 1 0.84044670 0.54521101 0.04980418 1.0 Si Si22 1 0.65955330 0.04521101 0.95019582 1.0 Si Si23 1 0.15955330 0.45478899 0.54980418 1.0 Tc Tc24 1 0.82242000 0.34668447 0.61610127 1.0 Tc Tc25 1 0.32242000 0.15331553 0.88389873 1.0 Tc Tc26 1 0.17758000 0.65331553 0.11610127 1.0 Tc Tc27 1 0.67758000 0.84668447 0.38389873 1.0 Tc Tc28 1 0.17758000 0.65331553 0.38389873 1.0 Tc Tc29 1 0.67758000 0.84668447 0.11610127 1.0 Tc Tc30 1 0.82242000 0.34668447 0.88389873 1.0 Tc Tc31 1 0.32242000 0.15331553 0.61610127 1.0 Tc Tc32 1 0.66129971 0.99760214 0.75000000 1.0 Tc Tc33 1 0.16129971 0.50239786 0.75000000 1.0 Tc Tc34 1 0.33870029 0.00239786 0.25000000 1.0 Tc Tc35 1 0.83870029 0.49760214 0.25000000 1.0