# generated using pymatgen data_Ca4Pr15NdGa12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88709339 _cell_length_b 7.88718352 _cell_length_c 14.76807964 _cell_angle_alpha 89.99536026 _cell_angle_beta 90.01889501 _cell_angle_gamma 89.99035456 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4Pr15NdGa12 _chemical_formula_sum 'Ca4 Pr15 Nd1 Ga12' _cell_volume 918.67717100 _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 Ca Ca0 1 0.00058645 0.50020920 0.74880744 1.0 Ca Ca1 1 0.99938762 0.49971269 0.24984401 1.0 Ca Ca2 1 0.49941589 0.99955786 0.25077580 1.0 Ca Ca3 1 0.50040959 0.00026820 0.75012183 1.0 Pr Pr4 1 0.17521466 0.82462804 0.10269727 1.0 Pr Pr5 1 0.17455064 0.82437864 0.39761947 1.0 Pr Pr6 1 0.82459249 0.17528511 0.39764066 1.0 Pr Pr7 1 0.67532780 0.67502847 0.39752001 1.0 Pr Pr8 1 0.67597622 0.32429345 0.60268018 1.0 Pr Pr9 1 0.32514840 0.67636140 0.60270391 1.0 Pr Pr10 1 0.67486326 0.67542816 0.10260018 1.0 Pr Pr11 1 0.67619197 0.32498363 0.89705725 1.0 Pr Pr12 1 0.82532861 0.82451249 0.89714967 1.0 Pr Pr13 1 0.32386312 0.32453149 0.39734611 1.0 Pr Pr14 1 0.17615225 0.17542846 0.60269351 1.0 Pr Pr15 1 0.82398873 0.17497259 0.10273596 1.0 Pr Pr16 1 0.32457457 0.67540925 0.89713545 1.0 Pr Pr17 1 0.32460086 0.32425160 0.10256245 1.0 Pr Pr18 1 0.17523645 0.17571965 0.89691623 1.0 Nd Nd19 1 0.82460006 0.82507618 0.60389680 1.0 Ga Ga20 1 0.61419782 0.38461981 0.25012572 1.0 Ga Ga21 1 0.11528509 0.88476821 0.74941527 1.0 Ga Ga22 1 0.38610123 0.38573724 0.74988753 1.0 Ga Ga23 1 0.38433829 0.61445371 0.25010900 1.0 Ga Ga24 1 0.88441923 0.88471206 0.25005186 1.0 Ga Ga25 1 0.61578094 0.61551836 0.74972469 1.0 Ga Ga26 1 0.99928881 0.50153608 0.50073268 1.0 Ga Ga27 1 0.88510946 0.11490769 0.74936298 1.0 Ga Ga28 1 0.50124984 0.99925473 0.50010037 1.0 Ga Ga29 1 0.49978903 0.00000229 0.99970659 1.0 Ga Ga30 1 0.11435480 0.11463343 0.25013171 1.0 Ga Ga31 1 0.00007181 0.49981983 0.00014742 1.0