# generated using pymatgen data_Sc6Ni20As13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.91603323 _cell_length_b 12.91603336 _cell_length_c 3.71802640 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000217 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Ni20As13 _chemical_formula_sum 'Sc6 Ni20 As13' _cell_volume 537.15720187 _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 0.52423675 0.80734763 0.00000000 1.0 Sc Sc1 1 0.28311087 0.47576325 0.00000000 1.0 Sc Sc2 1 0.19265237 0.71688913 0.00000000 1.0 Sc Sc3 1 0.80692407 0.28254290 0.50000000 1.0 Sc Sc4 1 0.47561883 0.19307593 0.50000000 1.0 Sc Sc5 1 0.71745710 0.52438117 0.50000000 1.0 Ni Ni6 1 0.79941674 0.90528483 0.00000000 1.0 Ni Ni7 1 0.10586708 0.20058326 0.00000000 1.0 Ni Ni8 1 0.09471517 0.89413292 0.00000000 1.0 Ni Ni9 1 0.33333300 0.66666700 0.50000000 1.0 Ni Ni10 1 0.92451764 0.08209740 0.50000000 1.0 Ni Ni11 1 0.15757976 0.07548236 0.50000000 1.0 Ni Ni12 1 0.91790260 0.84242024 0.50000000 1.0 Ni Ni13 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni14 1 0.56413391 0.58135880 0.00000000 1.0 Ni Ni15 1 0.01722489 0.43586609 0.00000000 1.0 Ni Ni16 1 0.41864120 0.98277511 0.00000000 1.0 Ni Ni17 1 0.67896963 0.74909998 0.50000000 1.0 Ni Ni18 1 0.07013135 0.32103037 0.50000000 1.0 Ni Ni19 1 0.25090002 0.92986865 0.50000000 1.0 Ni Ni20 1 0.98247705 0.56353225 0.50000000 1.0 Ni Ni21 1 0.58105520 0.01752295 0.50000000 1.0 Ni Ni22 1 0.43646775 0.41894480 0.50000000 1.0 Ni Ni23 1 0.75172257 0.07533327 0.00000000 1.0 Ni Ni24 1 0.32361170 0.24827743 0.00000000 1.0 Ni Ni25 1 0.92466673 0.67638830 0.00000000 1.0 As As26 1 0.47337203 0.61506435 0.50000000 1.0 As As27 1 0.14169232 0.52662797 0.50000000 1.0 As As28 1 0.38493565 0.85830768 0.50000000 1.0 As As29 1 0.71090459 0.94461207 0.50000000 1.0 As As30 1 0.23370848 0.28909541 0.50000000 1.0 As As31 1 0.05538793 0.76629152 0.50000000 1.0 As As32 1 0.85845787 0.47287768 0.00000000 1.0 As As33 1 0.61442081 0.14154213 0.00000000 1.0 As As34 1 0.52712232 0.38557919 0.00000000 1.0 As As35 1 0.94232256 0.23126046 0.00000000 1.0 As As36 1 0.28893791 0.05767744 0.00000000 1.0 As As37 1 0.76873954 0.71106209 0.00000000 1.0 As As38 1 0.00000000 0.00000000 0.00000000 1.0