# generated using pymatgen data_Sc10Bi4AsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55288525 _cell_length_b 8.59957074 _cell_length_c 11.34274364 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc10Bi4AsSe _chemical_formula_sum 'Sc20 Bi8 As2 Se2' _cell_volume 736.72901960 _cell_formula_units_Z 2 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 0.81760223 0.93914126 0.06047866 1.0 Sc Sc1 1 0.31760223 0.06085874 0.43952134 1.0 Sc Sc2 1 0.18467470 0.44259264 0.93799746 1.0 Sc Sc3 1 0.68467470 0.55740736 0.56200254 1.0 Sc Sc4 1 0.18467470 0.05740736 0.93799746 1.0 Sc Sc5 1 0.68467470 0.94259264 0.56200254 1.0 Sc Sc6 1 0.81760223 0.56085874 0.06047866 1.0 Sc Sc7 1 0.31760223 0.43914126 0.43952134 1.0 Sc Sc8 1 0.14808803 0.75000000 0.20286999 1.0 Sc Sc9 1 0.64808803 0.25000000 0.29713001 1.0 Sc Sc10 1 0.84467171 0.25000000 0.78764437 1.0 Sc Sc11 1 0.34467171 0.75000000 0.71235563 1.0 Sc Sc12 1 0.46790373 0.75000000 0.00219994 1.0 Sc Sc13 1 0.96790373 0.25000000 0.49780006 1.0 Sc Sc14 1 0.53082024 0.25000000 0.99872552 1.0 Sc Sc15 1 0.03082024 0.75000000 0.50127448 1.0 Sc Sc16 1 0.63659818 0.75000000 0.29361111 1.0 Sc Sc17 1 0.13659818 0.25000000 0.20638889 1.0 Sc Sc18 1 0.36250083 0.25000000 0.70902511 1.0 Sc Sc19 1 0.86250083 0.75000000 0.79097489 1.0 Bi Bi20 1 0.92744732 0.50945506 0.32527110 1.0 Bi Bi21 1 0.42744732 0.49054494 0.17472890 1.0 Bi Bi22 1 0.07316329 0.00985540 0.67293585 1.0 Bi Bi23 1 0.57316329 0.99014460 0.82706415 1.0 Bi Bi24 1 0.07316329 0.49014460 0.67293585 1.0 Bi Bi25 1 0.57316329 0.50985540 0.82706415 1.0 Bi Bi26 1 0.92744732 0.99054494 0.32527110 1.0 Bi Bi27 1 0.42744732 0.00945506 0.17472890 1.0 As As28 1 0.58873123 0.25000000 0.52681608 1.0 As As29 1 0.08873123 0.75000000 0.97318392 1.0 Se Se30 1 0.41491000 0.75000000 0.48200520 1.0 Se Se31 1 0.91491000 0.25000000 0.01799480 1.0