# generated using pymatgen data_Sc5CoAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16280046 _cell_length_b 7.86559798 _cell_length_c 11.03888366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5CoAs2 _chemical_formula_sum 'Sc20 Co4 As8' _cell_volume 621.92749205 _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 0.82303614 0.96681472 0.07264518 1.0 Sc Sc1 1 0.32303614 0.03318528 0.42735482 1.0 Sc Sc2 1 0.17696386 0.46681472 0.92735482 1.0 Sc Sc3 1 0.67696386 0.53318528 0.57264518 1.0 Sc Sc4 1 0.17696386 0.03318528 0.92735482 1.0 Sc Sc5 1 0.67696386 0.96681472 0.57264518 1.0 Sc Sc6 1 0.82303614 0.53318528 0.07264518 1.0 Sc Sc7 1 0.32303614 0.46681472 0.42735482 1.0 Sc Sc8 1 0.16846186 0.75000000 0.21051987 1.0 Sc Sc9 1 0.66846186 0.25000000 0.28948013 1.0 Sc Sc10 1 0.83153814 0.25000000 0.78948013 1.0 Sc Sc11 1 0.33153814 0.75000000 0.71051987 1.0 Sc Sc12 1 0.45930537 0.75000000 0.99978919 1.0 Sc Sc13 1 0.95930537 0.25000000 0.50021081 1.0 Sc Sc14 1 0.54069463 0.25000000 0.00021081 1.0 Sc Sc15 1 0.04069463 0.75000000 0.49978919 1.0 Sc Sc16 1 0.64148626 0.75000000 0.30421844 1.0 Sc Sc17 1 0.14148626 0.25000000 0.19578156 1.0 Sc Sc18 1 0.35851374 0.25000000 0.69578156 1.0 Sc Sc19 1 0.85851374 0.75000000 0.80421844 1.0 Co Co20 1 0.43774851 0.75000000 0.49023643 1.0 Co Co21 1 0.93774851 0.25000000 0.00976357 1.0 Co Co22 1 0.56225149 0.25000000 0.50976357 1.0 Co Co23 1 0.06225149 0.75000000 0.99023643 1.0 As As24 1 0.94475456 0.50604355 0.32742781 1.0 As As25 1 0.44475456 0.49395645 0.17257219 1.0 As As26 1 0.05524544 0.00604355 0.67257219 1.0 As As27 1 0.55524544 0.99395645 0.82742781 1.0 As As28 1 0.05524544 0.49395645 0.67257219 1.0 As As29 1 0.55524544 0.50604355 0.82742781 1.0 As As30 1 0.94475456 0.99395645 0.32742781 1.0 As As31 1 0.44475456 0.00604355 0.17257219 1.0