# generated using pymatgen data_Sc20Ga3Bi8Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63080277 _cell_length_b 8.81038539 _cell_length_c 11.23939106 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.89694036 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc20Ga3Bi8Sb _chemical_formula_sum 'Sc20 Ga3 Bi8 Sb1' _cell_volume 755.62655999 _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 0.03506678 0.25000000 0.50957741 1.0 Sc Sc1 1 0.96472342 0.75000000 0.48889124 1.0 Sc Sc2 1 0.46233912 0.75000000 0.01124077 1.0 Sc Sc3 1 0.52593399 0.25000000 0.99026429 1.0 Sc Sc4 1 0.34711384 0.25000000 0.29477915 1.0 Sc Sc5 1 0.65414535 0.75000000 0.70494341 1.0 Sc Sc6 1 0.15036511 0.75000000 0.79429886 1.0 Sc Sc7 1 0.84233304 0.25000000 0.21371653 1.0 Sc Sc8 1 0.19141904 0.25000000 0.77920079 1.0 Sc Sc9 1 0.81913677 0.75000000 0.21240669 1.0 Sc Sc10 1 0.32072224 0.75000000 0.28591648 1.0 Sc Sc11 1 0.67747447 0.25000000 0.71121172 1.0 Sc Sc12 1 0.19176836 0.05325252 0.05917563 1.0 Sc Sc13 1 0.81299622 0.92959852 0.94374058 1.0 Sc Sc14 1 0.31568969 0.94027816 0.55518049 1.0 Sc Sc15 1 0.81299622 0.57040148 0.94374058 1.0 Sc Sc16 1 0.68411972 0.05941683 0.44608678 1.0 Sc Sc17 1 0.19176836 0.44674748 0.05917563 1.0 Sc Sc18 1 0.68411972 0.44058317 0.44608678 1.0 Sc Sc19 1 0.31568969 0.55972184 0.55518049 1.0 Ga Ga20 1 0.40798221 0.25000000 0.53839737 1.0 Ga Ga21 1 0.58953756 0.75000000 0.46112721 1.0 Ga Ga22 1 0.09020944 0.75000000 0.03874255 1.0 Bi Bi23 1 0.05771495 0.00172395 0.32217638 1.0 Bi Bi24 1 0.94192837 0.99762385 0.67541684 1.0 Bi Bi25 1 0.44173950 0.99623483 0.82274767 1.0 Bi Bi26 1 0.94192837 0.50237615 0.67541684 1.0 Bi Bi27 1 0.55895330 0.00237702 0.17828327 1.0 Bi Bi28 1 0.05771495 0.49827605 0.32217638 1.0 Bi Bi29 1 0.55895330 0.49762298 0.17828327 1.0 Bi Bi30 1 0.44173950 0.50376517 0.82274767 1.0 Sb Sb31 1 0.91167741 0.25000000 0.95967226 1.0