# generated using pymatgen data_Pr5Sc3(P3Ir4)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.90011170 _cell_length_b 12.90011261 _cell_length_c 4.00968132 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000019 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr5Sc3(P3Ir4)4 _chemical_formula_sum 'Pr5 Sc3 P12 Ir16' _cell_volume 577.86642265 _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 Pr Pr0 1 0.33333300 0.66666700 0.50000000 1.0 Pr Pr1 1 0.66666700 0.33333300 0.50000000 1.0 Pr Pr2 1 0.00000000 0.81152425 0.00000000 1.0 Pr Pr3 1 0.18847575 0.18847575 0.00000000 1.0 Pr Pr4 1 0.81152425 0.00000000 0.00000000 1.0 Sc Sc5 1 0.00000000 0.44234019 0.50000000 1.0 Sc Sc6 1 0.55765981 0.55765981 0.50000000 1.0 Sc Sc7 1 0.44234019 1.00000000 0.50000000 1.0 P P8 1 1.00000000 0.64121312 0.50000000 1.0 P P9 1 0.35878688 0.35878688 0.50000000 1.0 P P10 1 0.64121312 0.00000000 0.50000000 1.0 P P11 1 0.51939425 0.68765692 0.00000000 1.0 P P12 1 0.31234308 0.83173733 0.00000000 1.0 P P13 1 0.16826267 0.48060575 0.00000000 1.0 P P14 1 0.48060575 0.16826267 0.00000000 1.0 P P15 1 0.68765692 0.51939425 0.00000000 1.0 P P16 1 0.83173733 0.31234308 0.00000000 1.0 P P17 1 1.00000000 0.17949736 0.50000000 1.0 P P18 1 0.82050264 0.82050264 0.50000000 1.0 P P19 1 0.17949736 0.00000000 0.50000000 1.0 Ir Ir20 1 0.51127969 0.86942185 0.00000000 1.0 Ir Ir21 1 0.13057815 0.64185885 0.00000000 1.0 Ir Ir22 1 0.35814115 0.48872031 0.00000000 1.0 Ir Ir23 1 0.48872031 0.35814115 0.00000000 1.0 Ir Ir24 1 0.86942185 0.51127969 0.00000000 1.0 Ir Ir25 1 0.64185885 0.13057815 0.00000000 1.0 Ir Ir26 1 1.00000000 0.28041366 0.00000000 1.0 Ir Ir27 1 0.71958634 0.71958634 0.00000000 1.0 Ir Ir28 1 0.28041366 0.00000000 0.00000000 1.0 Ir Ir29 1 0.62540154 0.80423288 0.50000000 1.0 Ir Ir30 1 0.19576712 0.82116865 0.50000000 1.0 Ir Ir31 1 0.17883135 0.37459846 0.50000000 1.0 Ir Ir32 1 0.37459846 0.17883135 0.50000000 1.0 Ir Ir33 1 0.80423288 0.62540154 0.50000000 1.0 Ir Ir34 1 0.82116865 0.19576712 0.50000000 1.0 Ir Ir35 1 0.00000000 0.00000000 0.50000000 1.0