# generated using pymatgen data_PrNiSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25385066 _cell_length_b 12.82277019 _cell_length_c 18.39441120 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrNiSb3 _chemical_formula_sum 'Pr12 Ni12 Sb36' _cell_volume 1475.07891729 _cell_formula_units_Z 12 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 Pr Pr0 1 0.97337666 0.70069465 0.58355643 1.0 Pr Pr1 1 0.02662334 0.29930535 0.08355643 1.0 Pr Pr2 1 0.52662334 0.70069465 0.41644357 1.0 Pr Pr3 1 0.47337666 0.29930535 0.91644357 1.0 Pr Pr4 1 0.44316768 0.69471999 0.75000000 1.0 Pr Pr5 1 0.05683232 0.69471999 0.25000000 1.0 Pr Pr6 1 0.52662334 0.70069465 0.08355643 1.0 Pr Pr7 1 0.02662334 0.29930535 0.41644357 1.0 Pr Pr8 1 0.55683232 0.30528001 0.25000000 1.0 Pr Pr9 1 0.94316768 0.30528001 0.75000000 1.0 Pr Pr10 1 0.47337666 0.29930535 0.58355643 1.0 Pr Pr11 1 0.97337666 0.70069465 0.91644357 1.0 Ni Ni12 1 0.17405152 0.09508265 0.67524976 1.0 Ni Ni13 1 0.32594848 0.09508265 0.17524976 1.0 Ni Ni14 1 0.25000000 0.90071691 0.50000000 1.0 Ni Ni15 1 0.82594848 0.90491635 0.32475024 1.0 Ni Ni16 1 0.82594848 0.90491635 0.17524976 1.0 Ni Ni17 1 0.32594848 0.09508265 0.32475024 1.0 Ni Ni18 1 0.67405152 0.90491635 0.82475024 1.0 Ni Ni19 1 0.67405152 0.90491635 0.67524976 1.0 Ni Ni20 1 0.17405152 0.09508265 0.82475024 1.0 Ni Ni21 1 0.75000000 0.09928309 -0.00000000 1.0 Ni Ni22 1 0.25000000 0.90071691 -0.00000000 1.0 Ni Ni23 1 0.75000000 0.09928309 0.50000000 1.0 Sb Sb24 1 0.52646399 0.21984748 0.41594644 1.0 Sb Sb25 1 0.55494955 0.78422320 0.25000000 1.0 Sb Sb26 1 0.79196463 0.50339627 0.33389352 1.0 Sb Sb27 1 0.95908404 0.97475740 0.58648234 1.0 Sb Sb28 1 0.31903285 0.94323160 0.75000000 1.0 Sb Sb29 1 0.81903285 0.05676840 0.75000000 1.0 Sb Sb30 1 0.05494955 0.21577680 0.25000000 1.0 Sb Sb31 1 0.94505045 0.78422320 0.75000000 1.0 Sb Sb32 1 0.18096715 0.94323160 0.25000000 1.0 Sb Sb33 1 0.68096715 0.05676840 0.25000000 1.0 Sb Sb34 1 0.97353601 0.21984748 0.91594644 1.0 Sb Sb35 1 0.70803537 0.50339627 0.66610648 1.0 Sb Sb36 1 0.29196463 0.49660373 0.16610648 1.0 Sb Sb37 1 0.75000000 0.49683861 -0.00000000 1.0 Sb Sb38 1 0.45908404 0.02524260 0.58648234 1.0 Sb Sb39 1 0.75000000 0.49683861 0.50000000 1.0 Sb Sb40 1 0.44505045 0.21577680 0.75000000 1.0 Sb Sb41 1 0.02646399 0.78015252 0.41594644 1.0 Sb Sb42 1 0.45908404 0.02524260 0.91351766 1.0 Sb Sb43 1 0.20803537 0.49660373 0.66610648 1.0 Sb Sb44 1 0.79196463 0.50339627 0.16610648 1.0 Sb Sb45 1 0.25000000 0.50316139 -0.00000000 1.0 Sb Sb46 1 0.70803537 0.50339627 0.83389352 1.0 Sb Sb47 1 0.95908404 0.97475740 0.91351766 1.0 Sb Sb48 1 0.02646399 0.78015252 0.08405356 1.0 Sb Sb49 1 0.54091596 0.97475740 0.08648234 1.0 Sb Sb50 1 0.54091596 0.97475740 0.41351766 1.0 Sb Sb51 1 0.52646399 0.21984748 0.08405356 1.0 Sb Sb52 1 0.04091596 0.02524260 0.08648234 1.0 Sb Sb53 1 0.20803537 0.49660373 0.83389352 1.0 Sb Sb54 1 0.04091596 0.02524260 0.41351766 1.0 Sb Sb55 1 0.29196463 0.49660373 0.33389352 1.0 Sb Sb56 1 0.97353601 0.21984748 0.58405356 1.0 Sb Sb57 1 0.25000000 0.50316139 0.50000000 1.0 Sb Sb58 1 0.47353601 0.78015252 0.91594644 1.0 Sb Sb59 1 0.47353601 0.78015252 0.58405356 1.0