# generated using pymatgen data_Th8Sc12Ga15Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39532980 _cell_length_b 7.66244892 _cell_length_c 14.54287802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.08287129 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th8Sc12Ga15Si _chemical_formula_sum 'Th8 Sc12 Ga15 Si1' _cell_volume 824.09076321 _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 Th Th0 1 0.01262697 0.17763853 0.09680423 1.0 Th Th1 1 0.98818435 0.82002726 0.90054915 1.0 Th Th2 1 0.49135347 0.67679552 0.90251278 1.0 Th Th3 1 0.98818435 0.82002726 0.59945085 1.0 Th Th4 1 0.51104774 0.32210877 0.09626937 1.0 Th Th5 1 0.01262697 0.17763853 0.40319577 1.0 Th Th6 1 0.51104774 0.32210877 0.40373063 1.0 Th Th7 1 0.49135347 0.67679552 0.59748722 1.0 Sc Sc8 1 0.16168870 0.49639404 0.75000000 1.0 Sc Sc9 1 0.83305843 0.50512362 0.25000000 1.0 Sc Sc10 1 0.33386234 0.99691359 0.25000000 1.0 Sc Sc11 1 0.66710387 0.99811462 0.75000000 1.0 Sc Sc12 1 0.33095294 0.17192110 0.62534535 1.0 Sc Sc13 1 0.66992386 0.82868207 0.37540524 1.0 Sc Sc14 1 0.17044126 0.67192479 0.37575001 1.0 Sc Sc15 1 0.66992386 0.82868207 0.12459476 1.0 Sc Sc16 1 0.82722044 0.32974179 0.62537270 1.0 Sc Sc17 1 0.33095294 0.17192110 0.87465465 1.0 Sc Sc18 1 0.82722044 0.32974179 0.87462730 1.0 Sc Sc19 1 0.17044126 0.67192479 0.12424999 1.0 Ga Ga20 1 0.03123337 0.12417009 0.75000000 1.0 Ga Ga21 1 0.96826496 0.87870931 0.25000000 1.0 Ga Ga22 1 0.46772893 0.62113181 0.25000000 1.0 Ga Ga23 1 0.52961454 0.37930933 0.75000000 1.0 Ga Ga24 1 0.29286557 0.87697915 0.75000000 1.0 Ga Ga25 1 0.70996945 0.12308500 0.25000000 1.0 Ga Ga26 1 0.21005129 0.37719644 0.25000000 1.0 Ga Ga27 1 0.15976242 0.46242749 0.54016595 1.0 Ga Ga28 1 0.84003681 0.53937160 0.46054326 1.0 Ga Ga29 1 0.33964070 0.96112310 0.46130949 1.0 Ga Ga30 1 0.84003681 0.53937160 0.03945674 1.0 Ga Ga31 1 0.66147478 0.03847314 0.53987983 1.0 Ga Ga32 1 0.15976242 0.46242749 0.95983405 1.0 Ga Ga33 1 0.66147478 0.03847314 0.96012017 1.0 Ga Ga34 1 0.33964070 0.96112310 0.03869051 1.0 Si Si35 1 0.78922308 0.62240166 0.75000000 1.0