# generated using pymatgen data_Ca5Sn6Sb6Rh19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.75995296 _cell_length_b 13.75995288 _cell_length_c 4.18261513 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000018 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Sn6Sb6Rh19 _chemical_formula_sum 'Ca5 Sn6 Sb6 Rh19' _cell_volume 685.82360777 _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 0.18640369 0.50000000 1.0 Ca Ca1 1 0.81359631 0.81359631 0.50000000 1.0 Ca Ca2 1 0.18640369 0.00000000 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 Sn Sn5 1 0.48427653 0.32475137 0.50000000 1.0 Sn Sn6 1 0.67524863 0.15952516 0.50000000 1.0 Sn Sn7 1 0.84047484 0.51572347 0.50000000 1.0 Sn Sn8 1 0.51572347 0.84047484 0.50000000 1.0 Sn Sn9 1 0.15952516 0.67524863 0.50000000 1.0 Sn Sn10 1 0.32475137 0.48427653 0.50000000 1.0 Sb Sb11 1 0.81992124 0.00000000 0.00000000 1.0 Sb Sb12 1 0.18007876 0.18007876 0.00000000 1.0 Sb Sb13 1 0.00000000 0.81992124 0.00000000 1.0 Sb Sb14 1 0.36923934 0.00000000 0.00000000 1.0 Sb Sb15 1 1.00000000 0.36923934 0.00000000 1.0 Sb Sb16 1 0.63076066 0.63076066 0.00000000 1.0 Rh Rh17 1 0.80596947 0.18014641 0.00000000 1.0 Rh Rh18 1 0.37417694 0.19403053 0.00000000 1.0 Rh Rh19 1 0.65236937 0.52626245 0.50000000 1.0 Rh Rh20 1 0.87389308 0.34763063 0.50000000 1.0 Rh Rh21 1 0.34763063 0.87389308 0.50000000 1.0 Rh Rh22 1 0.52626245 0.65236937 0.50000000 1.0 Rh Rh23 1 0.12610692 0.47373755 0.50000000 1.0 Rh Rh24 1 0.81985359 0.62582306 0.00000000 1.0 Rh Rh25 1 0.62582306 0.81985359 0.00000000 1.0 Rh Rh26 1 0.18014641 0.80596947 0.00000000 1.0 Rh Rh27 1 0.19403053 0.37417694 0.00000000 1.0 Rh Rh28 1 1.00000000 0.71923216 0.50000000 1.0 Rh Rh29 1 0.28076784 0.28076784 0.50000000 1.0 Rh Rh30 1 0.71923216 0.00000000 0.50000000 1.0 Rh Rh31 1 1.00000000 0.55619400 0.00000000 1.0 Rh Rh32 1 0.44380600 0.44380600 0.00000000 1.0 Rh Rh33 1 0.55619400 0.00000000 0.00000000 1.0 Rh Rh34 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh35 1 0.47373755 0.12610692 0.50000000 1.0