# generated using pymatgen data_Pr2Sc3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25172278 _cell_length_b 7.57128700 _cell_length_c 14.25418337 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Sc3Si4 _chemical_formula_sum 'Pr8 Sc12 Si16' _cell_volume 782.62414777 _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 Pr Pr0 1 0.01192873 0.17256477 0.40195478 1.0 Pr Pr1 1 0.51192645 0.32743341 0.40195468 1.0 Pr Pr2 1 0.48807127 0.67256477 0.90195478 1.0 Pr Pr3 1 0.48807127 0.67256477 0.59804522 1.0 Pr Pr4 1 0.98807355 0.82743341 0.59804532 1.0 Pr Pr5 1 0.98807355 0.82743341 0.90195468 1.0 Pr Pr6 1 0.51192645 0.32743341 0.09804532 1.0 Pr Pr7 1 0.01192873 0.17256477 0.09804522 1.0 Sc Sc8 1 0.32946575 0.17600101 0.62560447 1.0 Sc Sc9 1 0.67053360 0.82400161 0.37439550 1.0 Sc Sc10 1 0.66089612 0.00114390 0.75000000 1.0 Sc Sc11 1 0.17053425 0.67600101 0.37439553 1.0 Sc Sc12 1 0.82946640 0.32400161 0.87439550 1.0 Sc Sc13 1 0.82946640 0.32400161 0.62560450 1.0 Sc Sc14 1 0.83910388 0.50114390 0.25000000 1.0 Sc Sc15 1 0.33910627 -0.00114721 0.25000000 1.0 Sc Sc16 1 0.32946575 0.17600101 0.87439553 1.0 Sc Sc17 1 0.17053425 0.67600101 0.12560447 1.0 Sc Sc18 1 0.67053360 0.82400161 0.12560450 1.0 Sc Sc19 1 0.16089373 0.49885279 0.75000000 1.0 Si Si20 1 0.28807580 0.88337284 0.75000000 1.0 Si Si21 1 0.46581257 0.62583197 0.25000000 1.0 Si Si22 1 0.03418743 0.12583197 0.75000000 1.0 Si Si23 1 0.53418601 0.37417037 0.75000000 1.0 Si Si24 1 0.15115091 0.46325909 0.53948392 1.0 Si Si25 1 0.96581399 0.87417037 0.25000000 1.0 Si Si26 1 0.71192298 0.11662622 0.25000000 1.0 Si Si27 1 0.84884923 0.53674107 0.03948252 1.0 Si Si28 1 0.34884909 0.96325909 0.03948392 1.0 Si Si29 1 0.15115091 0.46325909 0.96051608 1.0 Si Si30 1 0.65115077 0.03674107 0.53948252 1.0 Si Si31 1 0.34884909 0.96325909 0.46051608 1.0 Si Si32 1 0.84884923 0.53674107 0.46051748 1.0 Si Si33 1 0.78807702 0.61662622 0.75000000 1.0 Si Si34 1 0.21192420 0.38337284 0.25000000 1.0 Si Si35 1 0.65115077 0.03674107 0.96051748 1.0