# generated using pymatgen data_Ca3Ga3Rh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83142861 _cell_length_b 8.07621369 _cell_length_c 14.80350837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00101547 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Ga3Rh2 _chemical_formula_sum 'Ca12 Ga12 Rh8' _cell_volume 697.18401053 _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 Ca Ca0 1 0.11546366 0.54669764 0.60873430 1.0 Ca Ca1 1 0.61745098 0.69776940 0.75000000 1.0 Ca Ca2 1 0.61547583 0.95336484 0.10872113 1.0 Ca Ca3 1 0.38452417 0.04663516 0.89127887 1.0 Ca Ca4 1 0.61547583 0.95336484 0.39127887 1.0 Ca Ca5 1 0.88260698 0.19765873 0.75000000 1.0 Ca Ca6 1 0.38254902 0.30223060 0.25000000 1.0 Ca Ca7 1 0.38452417 0.04663516 0.60872113 1.0 Ca Ca8 1 0.88453634 0.45330236 0.10873430 1.0 Ca Ca9 1 0.11546366 0.54669764 0.89126570 1.0 Ca Ca10 1 0.11739302 0.80234127 0.25000000 1.0 Ca Ca11 1 0.88453634 0.45330236 0.39126570 1.0 Ga Ga12 1 0.07770381 0.85306075 0.75000000 1.0 Ga Ga13 1 0.87292654 0.17920725 0.95955065 1.0 Ga Ga14 1 0.92229619 0.14693925 0.25000000 1.0 Ga Ga15 1 0.57764993 0.64698640 0.25000000 1.0 Ga Ga16 1 0.12707346 0.82079275 0.45955065 1.0 Ga Ga17 1 0.37282539 0.32067644 0.04046570 1.0 Ga Ga18 1 0.62717461 0.67932356 0.54046570 1.0 Ga Ga19 1 0.62717461 0.67932356 0.95953430 1.0 Ga Ga20 1 0.37282539 0.32067644 0.45953430 1.0 Ga Ga21 1 0.12707346 0.82079275 0.04044935 1.0 Ga Ga22 1 0.42235007 0.35301360 0.75000000 1.0 Ga Ga23 1 0.87292654 0.17920725 0.54044935 1.0 Rh Rh24 1 0.89751133 0.89075334 0.59578698 1.0 Rh Rh25 1 0.60254435 0.39069340 0.90423371 1.0 Rh Rh26 1 0.89751133 0.89075334 0.90421302 1.0 Rh Rh27 1 0.39745565 0.60930660 0.09576629 1.0 Rh Rh28 1 0.10248867 0.10924666 0.40421302 1.0 Rh Rh29 1 0.39745565 0.60930660 0.40423371 1.0 Rh Rh30 1 0.60254435 0.39069340 0.59576629 1.0 Rh Rh31 1 0.10248867 0.10924666 0.09578698 1.0