# generated using pymatgen data_Ca5As12Ru9Rh10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.96913217 _cell_length_b 12.96913168 _cell_length_c 4.02187659 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000869 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5As12Ru9Rh10 _chemical_formula_sum 'Ca5 As12 Ru9 Rh10' _cell_volume 585.84287192 _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 1.00000000 0.18085245 0.50000000 1.0 Ca Ca1 1 0.81914755 0.81914755 0.50000000 1.0 Ca Ca2 1 0.18085245 1.00000000 0.50000000 1.0 Ca Ca3 1 0.66666700 0.33333300 0.00000000 1.0 Ca Ca4 1 0.33333300 0.66666700 0.00000000 1.0 As As5 1 1.00000000 0.81674085 0.00000000 1.0 As As6 1 0.18325915 0.18325915 0.00000000 1.0 As As7 1 0.81674085 1.00000000 0.00000000 1.0 As As8 1 0.68410399 0.16920929 0.50000000 1.0 As As9 1 0.83079071 0.51489469 0.50000000 1.0 As As10 1 0.48510531 0.31589601 0.50000000 1.0 As As11 1 0.16920929 0.68410399 0.50000000 1.0 As As12 1 0.51489469 0.83079071 0.50000000 1.0 As As13 1 0.31589601 0.48510531 0.50000000 1.0 As As14 1 0.00000000 0.36755417 0.00000000 1.0 As As15 1 0.63244583 0.63244583 0.00000000 1.0 As As16 1 0.36755417 0.00000000 0.00000000 1.0 Ru Ru17 1 1.00000000 0.71115458 0.50000000 1.0 Ru Ru18 1 0.28884542 0.28884542 0.50000000 1.0 Ru Ru19 1 0.71115458 1.00000000 0.50000000 1.0 Ru Ru20 1 0.87659074 0.35811792 0.50000000 1.0 Ru Ru21 1 0.64188208 0.51847183 0.50000000 1.0 Ru Ru22 1 0.48152817 0.12340926 0.50000000 1.0 Ru Ru23 1 0.35811792 0.87659074 0.50000000 1.0 Ru Ru24 1 0.51847183 0.64188208 0.50000000 1.0 Ru Ru25 1 0.12340926 0.48152817 0.50000000 1.0 Rh Rh26 1 1.00000000 0.55107357 0.00000000 1.0 Rh Rh27 1 0.44892643 0.44892643 0.00000000 1.0 Rh Rh28 1 0.55107357 1.00000000 0.00000000 1.0 Rh Rh29 1 0.80430046 0.18202461 0.00000000 1.0 Rh Rh30 1 0.81797539 0.62227685 0.00000000 1.0 Rh Rh31 1 0.37772315 0.19569954 0.00000000 1.0 Rh Rh32 1 0.18202461 0.80430046 0.00000000 1.0 Rh Rh33 1 0.62227685 0.81797539 0.00000000 1.0 Rh Rh34 1 0.19569954 0.37772315 0.00000000 1.0 Rh Rh35 1 0.00000000 0.00000000 0.00000000 1.0