# generated using pymatgen data_CaPa(Ga3Rh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53905664 _cell_length_b 7.55036702 _cell_length_c 9.38165482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.72283725 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaPa(Ga3Rh)3 _chemical_formula_sum 'Ca2 Pa2 Ga18 Rh6' _cell_volume 463.76857596 _cell_formula_units_Z 2 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 0.66906746 0.99615195 0.75000000 1.0 Ca Ca1 1 0.33093254 0.00384805 0.25000000 1.0 Pa Pa2 1 0.00191916 0.66973183 0.75000000 1.0 Pa Pa3 1 0.99808084 0.33026817 0.25000000 1.0 Ga Ga4 1 0.13095057 0.12617041 0.75000000 1.0 Ga Ga5 1 0.86904943 0.87382959 0.25000000 1.0 Ga Ga6 1 0.00065778 0.32979875 0.58236828 1.0 Ga Ga7 1 0.99934222 0.67020125 0.41763172 1.0 Ga Ga8 1 0.99934222 0.67020125 0.08236828 1.0 Ga Ga9 1 0.34016878 0.00531479 0.92238540 1.0 Ga Ga10 1 0.00065778 0.32979875 0.91763172 1.0 Ga Ga11 1 0.65983122 0.99468521 0.07761460 1.0 Ga Ga12 1 0.65983122 0.99468521 0.42238540 1.0 Ga Ga13 1 0.34016878 0.00531479 0.57761460 1.0 Ga Ga14 1 0.33581043 0.33275595 0.06578742 1.0 Ga Ga15 1 0.66418957 0.66724405 0.93421258 1.0 Ga Ga16 1 0.66418957 0.66724405 0.56578742 1.0 Ga Ga17 1 0.33581043 0.33275595 0.43421258 1.0 Ga Ga18 1 0.33800398 0.54285081 0.75000000 1.0 Ga Ga19 1 0.66199602 0.45714919 0.25000000 1.0 Ga Ga20 1 0.54716191 0.34102784 0.75000000 1.0 Ga Ga21 1 0.45283809 0.65897216 0.25000000 1.0 Rh Rh22 1 0.67773056 0.33396549 0.49921546 1.0 Rh Rh23 1 0.32226944 0.66603451 0.50078454 1.0 Rh Rh24 1 0.32226944 0.66603451 0.99921546 1.0 Rh Rh25 1 0.67773056 0.33396549 0.00078454 1.0 Rh Rh26 1 0.00000000 0.00000000 0.50000000 1.0 Rh Rh27 1 0.00000000 0.00000000 0.00000000 1.0