# generated using pymatgen data_Ca3Pr2Si12Rh19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.74924283 _cell_length_b 12.74924169 _cell_length_c 3.98952108 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000043 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Pr2Si12Rh19 _chemical_formula_sum 'Ca3 Pr2 Si12 Rh19' _cell_volume 561.59100245 _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 0.00000000 0.18491287 0.50000000 1.0 Ca Ca1 1 0.81508713 0.81508713 0.50000000 1.0 Ca Ca2 1 0.18491287 1.00000000 0.50000000 1.0 Pr Pr3 1 0.66666700 0.33333300 0.00000000 1.0 Pr Pr4 1 0.33333300 0.66666700 0.00000000 1.0 Si Si5 1 0.47319155 0.31260185 0.50000000 1.0 Si Si6 1 0.81695527 0.00000000 0.00000000 1.0 Si Si7 1 0.18304473 0.18304473 0.00000000 1.0 Si Si8 1 1.00000000 0.81695527 0.00000000 1.0 Si Si9 1 0.37312379 1.00000000 0.00000000 1.0 Si Si10 1 0.68739815 0.16058970 0.50000000 1.0 Si Si11 1 0.83941030 0.52680845 0.50000000 1.0 Si Si12 1 0.52680845 0.83941030 0.50000000 1.0 Si Si13 1 0.16058970 0.68739815 0.50000000 1.0 Si Si14 1 0.31260185 0.47319155 0.50000000 1.0 Si Si15 1 0.00000000 0.37312379 0.00000000 1.0 Si Si16 1 0.62687621 0.62687621 0.00000000 1.0 Rh Rh17 1 0.80733910 0.18326242 0.00000000 1.0 Rh Rh18 1 0.37592332 0.19266090 0.00000000 1.0 Rh Rh19 1 0.63942723 0.51420994 0.50000000 1.0 Rh Rh20 1 0.87478171 0.36057277 0.50000000 1.0 Rh Rh21 1 0.36057277 0.87478171 0.50000000 1.0 Rh Rh22 1 0.51420994 0.63942723 0.50000000 1.0 Rh Rh23 1 0.12521829 0.48579006 0.50000000 1.0 Rh Rh24 1 0.81673758 0.62407668 0.00000000 1.0 Rh Rh25 1 0.62407668 0.81673758 0.00000000 1.0 Rh Rh26 1 0.18326242 0.80733910 0.00000000 1.0 Rh Rh27 1 0.19266090 0.37592332 0.00000000 1.0 Rh Rh28 1 1.00000000 0.72277216 0.50000000 1.0 Rh Rh29 1 0.27722784 0.27722784 0.50000000 1.0 Rh Rh30 1 0.72277216 0.00000000 0.50000000 1.0 Rh Rh31 1 1.00000000 0.55489726 0.00000000 1.0 Rh Rh32 1 0.44510274 0.44510274 0.00000000 1.0 Rh Rh33 1 0.55489726 0.00000000 0.00000000 1.0 Rh Rh34 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh35 1 0.48579006 0.12521829 0.50000000 1.0